Acetic Acid

Acetic Acid

SCHEMBL5037744

CC(=O)O.NC1=NCCS1

nearest known ligand 0.70

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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
NOS3 known ✓ P29474 2/20 0.70
NOS1 known ✓ P29475 2/20 0.70
NOS2 known ✓ P35228 2/20 0.70
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA5 P31644 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRA1 P14867 3/20 0.34
GABRR1 P24046 2/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL11512136 0.76 NOS3 (0.53) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL689553 0.68
Acetic Acid SCHEMBL9194364 0.59 CYP1A2 (0.52) ALDH1A1GAATP53HSD17B10GABRA5
Acetic Acid SCHEMBL8037754 0.58 FFAR3 (0.54)
Acetic Acid SCHEMBL3731603 0.57 FFAR3 (0.64) ALDH1A1MAPTKMT2AMEN1CYP1A2
Acetic Acid SCHEMBL584739 0.56
Acetic Acid SCHEMBL9098032 0.56
Acetic Acid SCHEMBL6049138 0.56 FFAR3 (0.78) ALDH1A1
Acetic Acid SCHEMBL11280978 0.56 FFAR3 (0.78) ALDH1A1
Acetic Acid SCHEMBL9296969 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101283441-B Polishing slurry for CMP and polishing method HITACHI CHEMICAL CO LTD 2011-07-20 CN claimed
US-20170267895-A9 POLISHING SLURRY FOR CMP AND POLISHING METHOD HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-09-21 US disclosed
US-20150315419-A1 POLISHING SLURRY FOR CMP AND POLISHING METHOD HITACHI CHEMICAL COMPANY, LTD. (JP) 2015-11-05 US disclosed
US-20140065825-A1 POLISHING SLURRY FOR CMP AND POLISHING METHOD HITACHI CHEMICAL CO., LTD. (JP) 2014-03-06 US disclosed
CN-101283441-B Polishing slurry for CMP and polishing method HITACHI CHEMICAL CO LTD 2011-07-20 CN disclosed
CN-101283441-A Polishing slurry for CMP and polishing method HITACHI CHEMICAL CO LTD (JP) 2008-10-08 CN disclosed
EP-1936673-A1 POLISHING SOLUTION FOR CMP AND METHOD OF POLISHING Hitachi Chemical Co., Ltd. (JP) 2008-06-25 EP disclosed
US-20070117394-A1 Polishing slurry for CMP and polishing method HITACHI CHEMICAL CO., LTD. (JP) 2007-05-24 US disclosed