Acetic Acid

Acetic Acid

SCHEMBL28007455

CC(=O)O.O=[N+]([O-])c1ccc2[nH]ccc2c1

nearest known ligand 0.48

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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
NOS1 known ✓ P29475 1/20 0.46
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.46
MAOB P27338 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
CYP19A1 P11511 2/20 0.46
PTGS2 P35354 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
RAD51 Q06609 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NQO2 P16083 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL28686 0.90 MAPT (0.54) POLBALDH1A1MAPTMAOBNOS1
SCHEMBL30597526 0.90 MAPT (0.54) POLBALDH1A1MAPTMAOBNOS1
Propionic Acid SCHEMBL27602614 0.90 POLB (0.45) POLBMEN1ALDH1A1PKMNPY1R
Ammonia Solution, Strong SCHEMBL28394313 0.89 MAPT (0.53) POLBALDH1A1MAPTMAOBNOS1
Methane SCHEMBL27929615 0.89 MAPT (0.53) POLBALDH1A1MAPTMAOBNOS1
Acrylic Acid SCHEMBL29048066 0.87 MAPT (0.43) POLBMEN1ALDH1A1PKMNPY1R
Phosphoric Acid SCHEMBL594274 0.86 MAPT (0.47) POLBMAPTMAOBNOS1HRH4
SCHEMBL21359704 0.84 MAPT (0.46) POLBALDH1A1MAPTMAOBNOS1
Phosphoramidic Acid SCHEMBL312721 0.83 MAPT (0.45) POLBALDH1A1MAPTMAOBNOS1
Pyridine SCHEMBL28517154 0.82 MAPT (0.48) POLBMAPTMAOBNOS1CYP19A1

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-104447492-A Method for synthesizing 5-nitro indoleacetic acid UNIV CHANGZHOU 2015-03-25 CN disclosed