Acetic Acid

Acetic Acid

SCHEMBL29112727

CC(=O)O.CN(C)C(=O)N(C)N

nearest known ligand 0.41

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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 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
PMP22 Q01453 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL436298 0.91
Acetic Acid SCHEMBL27795666 0.81 FFAR3 (0.54) FFAR3LCKFYNALDH1A1TSHR
SCHEMBL25474034 0.77
Acetic Acid SCHEMBL28743669 0.77
Acetamide SCHEMBL6546136 0.71 LMNA (0.57) FFAR3LCKFYNALDH1A1TSHR
SCHEMBL4761502 0.71 ALDH1A1 (0.39) ALDH1A1TSHRPMP22NFKB1THPO
SCHEMBL28423362 0.71
SCHEMBL437859 0.70
Acetic Acid SCHEMBL3865516 0.70 FFAR3 (0.58) FFAR3LCKFYNALDH1A1TSHR
SCHEMBL1813362 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114732753-B Blue copper peptide face cream and preparation method thereof 杭州时光肌生物科技有限公司 2023-09-01 CN claimed