Acetic Acid

Acetic Acid

SCHEMBL28906309

CC(=O)O.ClC(Cl)(Cl)OCc1ccccc1

nearest known ligand 0.55

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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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAOB P27338 3/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL7192713 0.88 TSHR (0.52) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
SCHEMBL28104220 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27564805 0.79 ALDH1A1 (0.48) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
SCHEMBL9718961 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7930837 0.78 ALDH1A1 (0.47) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
Acetic Acid SCHEMBL7053200 0.78 ALDH1A1 (0.61) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
Acetic Acid SCHEMBL4466285 0.77 TSHR (0.71) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
Acetic Acid SCHEMBL28710458 0.77 TSHR (0.71) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
SCHEMBL12223141 0.77 ALDH1A1 (0.55) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2
SCHEMBL6679251 0.76 ALDH1A1 (0.53) ALDH1A1MAOBMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443174-B Cosmetic composition containing low molecular weight amorphous polylactic acid resin 自然工作有限责任公司 2024-04-26 CN disclosed
CN-115443174-A Cosmetic composition containing low molecular weight amorphous polylactic acid resin 自然工作有限责任公司 2022-12-06 CN disclosed