Acetic Acid

Acetic Acid

SCHEMBL1987108

CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCCCCC(=O)C(N)CN.[NaH]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.45
CES2 O00748 1/20 0.48
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE3A Q14432 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL8093379 1.00 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8107130 1.00 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL21049873 1.00 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27505734 1.00 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8103185 1.00 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL6261375 0.98 CES2 (0.50) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL468672 0.98 CES2 (0.50) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27538125 0.96 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27548987 0.96 CES2 (0.48) CES2PPARGPPARDPPARAHDAC11
SCHEMBL21061920 0.94 CES2 (0.53) CES2TSHRGPR84ALDH1A1SLC22A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1579022-A2 COATED METAL COMPONENTS IN AEROSOL VALVES AND DISPENSING PUMPS FOR METAL-SENSITIVE COMPOSITIONS AND PROCESS OF COATING THE COMPONENTS AVON PRODUCTS, INC. (US) 2005-09-28 EP claimed
US-20040265522-A1 Coated metal components in aerosol valves and dispensing pumps for metal-sensitive compositions and process of coating the components AVON PRODUCTS, INC. 2004-12-30 US claimed
WO-2003023083-A2 COATINGS FOR METAL COMPONENTS OF CONTAINER AVON PRODUCTS, INC. (US) 2003-03-20 WO claimed
US-5886031-A ADMINISTERING TO A PERSON AN EFFECTIVE AMOUNT OF IODOPROPYNYL BUTYL CARBAMATE AN ANTIBACTERIAL AND ANTIDANDRUFF AGENT WITH AN ADSORPTION-ACCELERATING AGENTS SELECTED FROM UREA, GUAR HYDROXYPROPYL TRIMONIUM CHLORIDE, AND POLYQUATERNIUM-10 PACIFIC CORPORATION (KR) 1999-03-23 US claimed
WO-2016110872-A1 FOOT CARE COMPOSITIONS Zydus Wellness Limited (IN) 2016-07-14 WO disclosed
EP-2337544-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE Living Proof, Inc. (US) 2011-06-29 EP disclosed
US-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS CIBA CORPORATION (US) 2010-06-10 US disclosed
EP-2120846-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (DE) 2009-11-25 EP disclosed
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. 2009-03-12 US disclosed
WO-2008134712-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. (US) 2008-11-06 WO disclosed
WO-2008107347-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (CH) 2008-09-12 WO disclosed
WO-2008070368-A2 METHODS AND COMPOSITIONS FOR SKIN CARE LIVING PROOF, INC. (US) 2008-06-12 WO disclosed
EP-1827361-A1 ANTI-CARIES ORAL CARE COMPOSITION WITH A CHELATING AGENT Colgate-Palmolive Company (US) 2007-09-05 EP disclosed
US-20070077380-A1 Coated metal components in aerosol valves and dispensing pumps for metal-sensitive compositions and process of coating the components FONSECA GEOFFREY 2007-04-05 US disclosed
WO-2006068753-A1 ANTI-CARIES ORAL CARE COMPOSITION WITH A CHELATING AGENT COLGATE-PALMOLIVE COMPANY (US) 2006-06-29 WO disclosed
US-20060134020-A1 Anti-caries oral care composition with a chelating agent COLGATE-PALMOLIVE COMPANY 2006-06-22 US disclosed
US-20040265522-A1 Coated metal components in aerosol valves and dispensing pumps for metal-sensitive compositions and process of coating the components AVON PRODUCTS, INC. 2004-12-30 US disclosed
US-6054450-A SOLUTION OF ZINC PYRITHIONE IN N-ACYLETHYLENEDIAMINETRIACETATE. PACIFIC CORPORATION (KR) 2000-04-25 US disclosed
US-5886031-A ADMINISTERING TO A PERSON AN EFFECTIVE AMOUNT OF IODOPROPYNYL BUTYL CARBAMATE AN ANTIBACTERIAL AND ANTIDANDRUFF AGENT WITH AN ADSORPTION-ACCELERATING AGENTS SELECTED FROM UREA, GUAR HYDROXYPROPYL TRIMONIUM CHLORIDE, AND POLYQUATERNIUM-10 PACIFIC CORPORATION (KR) 1999-03-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE MMP1, MMP9, MMP17 ESR1 3045/4885CES2 2512/4885PPARG 449/4885
US-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS MAOA, MAOB, ACMSD ESR1 1513/4885CES2 1491/4885PPARG 1192/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.