Acetic Acid

Acetic Acid

SCHEMBL8700134

C1=COc2ccccc2C1.CC(=O)O.Cl.O=[N+]([O-])O

nearest known ligand 0.36

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 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B3 P37058 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FBP1 P09467 1/20 0.31
NOTUM Q6P988 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
Nitric Acid SCHEMBL715664 0.90 MAOA (0.31) GAASMN1; SMN2
Nitric Acid SCHEMBL2591858 0.90 MAOA (0.31) GAASMN1; SMN2
Acetic Acid SCHEMBL2194348 0.89 GAA (0.39) GAASMN1; SMN2HSD17B3NOTUM
Acetic Acid SCHEMBL11766149 0.88 GAA (0.38) GAASMN1; SMN2HSD17B3NOTUM
Bicarbonate SCHEMBL4853464 0.83 MAOA (0.34) GAASMN1; SMN2HSD17B3NOTUM
Bicarbonate SCHEMBL2467504 0.83 MAOA (0.34) GAASMN1; SMN2HSD17B3NOTUM
Acetamide SCHEMBL7696552 0.82 SMN1; SMN2 (0.38) GAASMN1; SMN2HSD17B3NOTUM
Pyridine SCHEMBL5593972 0.81 GAA (0.33) GAASMN1; SMN2HSD17B3MEN1KMT2A
Hydrochloric Acid SCHEMBL7317965 0.79 MAOA (0.39) GAASMN1; SMN2
Propionic Acid SCHEMBL5157894 0.79 HTT (0.35) GAASMN1; SMN2HSD17B3MEN1KMT2A

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
WO-1998045527-A1 TEXTILE WITH COLORWASHED ASPECT CAMPBELL, SARAH, ANN (GB) 1998-10-15 WO disclosed