Acetic Acid

Acetic Acid

SCHEMBL571656

CC(=O)O.CC(=O)O.CC(=O)OCCO.NCCN.[NaH].[NaH].[NaH]

nearest known ligand 0.43

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
CHRNB4 known ✓ P30926 1/20 0.41
CHRNA3 known ✓ P32297 1/20 0.41
ALDH1A1 P00352 5/20 0.43
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TSHR P16473 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.41
GAA P10253 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 SCHEMBL18421897 0.98 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL2857433 0.98 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL10928939 0.91 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL2593864 0.91 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL15536948 0.90 ALDH1A1 (0.42) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL10486951 0.88 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL7675235 0.88
SCHEMBL27581594 0.88
Acetic Acid SCHEMBL28687059 0.86 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3TSHR
Ethylamine SCHEMBL8850215 0.86 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3TSHR

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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10306015-A None JP disclosed
CN-114173758-B Aqueous composition 株式会社资生堂 2024-05-31 CN disclosed
CN-117940109-A Composition for preventing bromhidrosis 持田制药株式会社 2024-04-26 CN disclosed
EP-4356897-A1 POWDER COSMETIC AND PRODUCTION METHOD FOR SAME Shiseido Company, Ltd. (JP) 2024-04-24 EP disclosed
CN-117915887-A Cleaning agent 株式会社资生堂 2024-04-19 CN disclosed
CN-115151239-B Oil-in-water emulsion composition 株式会社资生堂 2024-03-19 CN disclosed
CN-113599346-B Skin care and repair composition 浙江楚沅生物科技有限公司 2024-03-08 CN disclosed
CN-117460490-A Skin external composition containing taurine crystal with useful component 考司美德制药株式会社 2024-01-26 CN disclosed
CN-117377454-A Skin care composition 考司美德制药株式会社 2024-01-09 CN disclosed
WO-2023219108-A1 OIL-IN-WATER COMPOSITION 株式会社 資生堂 2023-11-16 WO disclosed
WO-2005102267-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING TOCOPHEROL DERIVATIVE, ASCORBIC ACID DERIVATIVE AND SURFACE ACTIVE AGENT HAVING LIPOPEPTIDE STRUCTURE SHOWA DENKO K.K. (JP) 2005-11-03 WO disclosed
WO-2005094777-A1 EXTERNAL PREPARATION FOR SKIN SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
US-20050220744-A1 Polysaccharide/functional compound complex SHOWA DENKO K.K. 2005-10-06 US disclosed
WO-2005089708-A1 OIL-IN-WATER EMULSIFIED COMPOSITION, AND EXTERNAL PREPARATION FOR SKIN AND COSMETICS USING THE COMPOSITION SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed
WO-2005020950-A1 COSMETIC COMPOSITION COMPRISING A AND A LIPOPEPTIDE SHOWA DENKO K.K. (JP) 2005-03-10 WO disclosed
EP-1430905-A1 EXTERNAL PREPARATION FOR THE SKIN SHISEIDO COMPANY LIMITED (JP) 2004-06-23 EP disclosed
US-20030003071-A1 Hair growth stimulant SHISEIDO COMPANY, LTD. (JP) 2003-01-02 US disclosed
EP-1234574-A1 HAIR GROWTH STIMULANT SHISEIDO COMPANY LIMITED (JP) 2002-08-28 EP disclosed
EP-1153602-A1 SKIN PREPARATIONS FOR EXTERNAL USE SHISEIDO COMPANY LIMITED (JP) 2001-11-14 EP disclosed
JP-H10306015-A MAKE-UP COSMETIC SHISEIDO CO LTD 1998-11-17 JP disclosed