Acetic Acid

Acetic Acid

SCHEMBL4292108

CC(=O)O.CC(=O)O.CC(N)O

nearest known ligand 0.54

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
FFAR3 O14843 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
TP53 P04637 1/20 0.50
SLC7A5 Q01650 2/20 0.47
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41

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
Acetic Acid SCHEMBL1565106 1.00
Acetic Acid SCHEMBL6425236 0.96 FFAR3 (0.50) FFAR3LCKFYNTP53SLC7A5
Acetic Acid SCHEMBL27504073 0.90 FFAR3 (0.44) FFAR3LCKFYNTP53SLC7A5
Acetic Acid SCHEMBL28157960 0.88
Acetic Acid SCHEMBL670655 0.88 FFAR3 (0.58) FFAR3LCKFYNTP53SLC7A5
Bicarbonate SCHEMBL1833319 0.88
Acetic Acid SCHEMBL44094 0.88
Acetic Acid SCHEMBL9151775 0.88 FFAR3 (0.58) FFAR3LCKFYNTP53SLC7A5
Acetic Acid SCHEMBL27717337 0.88 FFAR3 (0.58) FFAR3LCKFYNTP53SLC7A5
Acetic Acid SCHEMBL8742340 0.87 GABRR1 (0.46) FFAR3LCKFYNTP53SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197787-A1 Multilayer Detergent Tablet EUROTAB 2009-08-06 US disclosed
EP-0985016-B1 DETERGENT COMPOSITIONS CONTAINING NONIONIC SURFACTANT GRANULE UNILEVER PLC (GB) 2001-10-24 EP disclosed
US-6191095-B1 Detergent compositions LEVER BROTHERS COMPANY, A DIVISION OF CONOPCO, INC. 2001-02-20 US disclosed
EP-0985016-A1 DETERGENT COMPOSITIONS CONTAINING NONIONIC SURFACTANT GRANULE UNILEVER PLC (GB) 2000-03-15 EP disclosed
WO-1998054281-A1 DETERGENT COMPOSITIONS CONTAINING NONIONIC SURFACTANT GRANULE UNILEVER PLC (GB) 1998-12-03 WO disclosed
US-4414305-A SILVER HALIDE COLOR PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1983-11-08 US disclosed