Acetic Acid

Acetic Acid

SCHEMBL31398487

CC(=O)O.Cc1csc(C(=O)C(C)(C)N2CCOCC2)c1

nearest known ligand 0.45

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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 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP12 P39900 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HPGD P15428 1/20 0.33
GRIN2B Q13224 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL57063 0.96 ALDH1A1 (0.46) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL29051656 0.86 SMN1; SMN2 (0.44) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL3660464 0.83 DAO (0.39) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL10385894 0.83 DAO (0.49) DAOSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL9564682 0.82 HPGD (0.40) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL10383861 0.81 HPGD (0.39) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL5367666 0.81 DAO (0.39) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL28245381 0.80 SMN1; SMN2 (0.37) DAOSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL1290533 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPK1TSHRKDM4E
SCHEMBL7559724 0.78 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1TSHRKDM4E

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-119439618-A Negative photosensitive resin composition, preparation method thereof and hardening film 深圳市道尔顿电子材料股份有限公司 2025-02-14 CN disclosed