Acetic Acid

Acetic Acid

SCHEMBL28980245

CC(=O)O.Clc1ccc(C2CC2)cc1

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
SLC2A1 P11166 1/20 0.49
DRD2 P14416 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
DEGS1 O15121 1/20 0.47
SRD5A1 P18405 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR3A P46098 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
Bicarbonate SCHEMBL1719769 0.91 IDO1 (0.51) IDO1SLC2A1DRD2MAPTMEN1
Carbamic Acid SCHEMBL1569088 0.88 IDO1 (0.49) IDO1SLC2A1DRD2MAPTMEN1
Methyl Alcohol SCHEMBL15391253 0.87 DRD2 (0.55) IDO1SLC2A1DRD2MAPTMEN1
SCHEMBL1837178 0.86 MAPT (0.50) IDO1SLC2A1DRD2MAPTMEN1
SCHEMBL3219203 0.86 MAPT (0.50) IDO1SLC2A1DRD2MAPTMEN1
SCHEMBL315186 0.84 HTR3A (0.58) SLC2A1DRD2MAPTMEN1USP2
SCHEMBL637532 0.84 NPC1 (0.66) IDO1SLC2A1MAPTMEN1USP2
SCHEMBL918204 0.84 NPC1 (0.66) IDO1SLC2A1MAPTMEN1USP2
Bicarbonate SCHEMBL11118762 0.83 BCL2L1 (0.50) IDO1DRD2HTR3AHSD11B1SLC18A3
Hydrochloric Acid SCHEMBL10982713 0.82 NPC1 (0.64) IDO1SLC2A1MAPTMEN1USP2

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-115572098-A Concrete additive and preparation method thereof 光明铁道控股有限公司 2023-01-06 CN disclosed