Acetic Acid

Acetic Acid

SCHEMBL428009

CC(=O)O.CCCCCCCCCCCC(=O)NC(CCC)NC(=N)N

nearest known ligand 0.49

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 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
NOD1 Q9Y239 5/20 0.48
PLA2G2C Q5R387 1/20 0.48
DNM1 Q05193 1/20 0.48
PLA2G10 O15496 2/20 0.45
SLC6A5 Q9Y345 2/20 0.42
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ASAH1 Q13510 1/20 0.40
ACER2 Q5QJU3 1/20 0.40

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 SCHEMBL1987400 1.00 FAAH (0.49) FAAHMEN1KMT2AMAPK1NOD1
Acetic Acid SCHEMBL451414 1.00 FAAH (0.49) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL631595 0.96 FAAH (0.53) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL6705927 0.96 FAAH (0.53) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL6705632 0.96 FAAH (0.53) FAAHMEN1KMT2AMAPK1NOD1
Hydrochloric Acid SCHEMBL432397 0.94 FAAH (0.51) FAAHMEN1KMT2AMAPK1NOD1
Acetic Acid SCHEMBL31276320 0.89 FAAH (0.59) FAAHMEN1KMT2AMAPK1NOD1
Acetic Acid SCHEMBL11113366 0.85 CNR2 (0.45) FAAH
SCHEMBL16011427 0.84 FAAH (0.66) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL16011423 0.84 FAAH (0.66) FAAHMEN1KMT2AMAPK1NOD1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170156999-A1 PERSONAL CARE COMPOSITION IN A DISSOLVABLE CONTAINER Henkel IP & Holding GmbH (DE) 2017-06-08 US disclosed
EP-2419077-B1 PROCESS OF TREATING DAMAGED HAIR RHODIA OPERATIONS (FR) 2016-10-12 EP disclosed
EP-2393469-B1 Process of treating hair RHODIA OPERATIONS (FR) 2016-10-12 EP disclosed
WO-2016110872-A1 FOOT CARE COMPOSITIONS Zydus Wellness Limited (IN) 2016-07-14 WO disclosed
US-20140308227-A1 PROCESS OF TREATING DAMAGED HAIR RHODIA OPERATIONS (FR) 2014-10-16 US disclosed
EP-2419077-A2 PROCESS OF TREATING DAMAGED HAIR Rhodia Opérations (FR) 2012-02-22 EP disclosed
US-20120021025-A1 AQUEOUS COMPOSITION SUITABLE AS SHAMPOO RHODIA OPERATIONS (FR) 2012-01-26 US disclosed
EP-2337544-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE Living Proof, Inc. (US) 2011-06-29 EP disclosed
WO-2010089228-A9 AQUEOUS COMPOSITION SUITABLE AS SHAMPOO RHODIA OPERATIONS (FR) 2011-04-21 WO disclosed
WO-2010118925-A2 PROCESS OF TREATING DAMAGED HAIR RHODIA OPERATIONS (FR) 2010-10-21 WO disclosed
WO-2010089228-A1 AQUEOUS COMPOSITION SUITABLE AS SHAMPOO RHODIA OPERATIONS (FR) 2010-08-12 WO disclosed
EP-2216010-A1 Aqueous composition suitable as shampoo Rhodia Opérations (FR) 2010-08-11 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
US-20030082129-A1 Hair and skin care compositions containing siloxane-based polyamide copolymers DOW CORNING CORPORATION 2003-05-01 US disclosed
WO-2003013447-A2 HAIR AND SKIN CARE COMPOSITIONS CONTAINING SILOXANE-BASED POLYAMIDE COPOLYMERS DOW CORNING CORPORATION (US) 2003-02-20 WO 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 (3 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 FAAH 970/4885MEN1 1603/4885KMT2A 2537/4885
US-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS MAOA, MAOB, ACMSD FAAH 243/4885MEN1 237/4885KMT2A 1439/4885
US-20030082129-A1 Hair and skin care compositions containing siloxane-based polyamide copolymers CUTA, POLR1C, KRT18 FAAH 791/4885MEN1 2257/4885KMT2A 650/4885

“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.