Acetic Acid

Acetic Acid

SCHEMBL27748313

CC(=O)NC(CCO)C(=O)O.CC(=O)O

nearest known ligand 0.57

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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 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GNPAT O15228 2/20 0.46
TGFBR1 P36897 2/20 0.42
FOLH1 Q04609 5/20 0.42
NAALAD2 Q9Y3Q0 3/20 0.42
RIMKLA Q8IXN7 1/20 0.42
ALB P02768 2/20 0.37

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
SCHEMBL468750 0.98 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL468749 0.98 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4ETHRBALOX15
Hydrogen Sulfide SCHEMBL27584727 0.96 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
Methane SCHEMBL5044798 0.96 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
Methane SCHEMBL5044803 0.96 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL6841658 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL6896498 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL19183299 0.82 KDM4E (0.45) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL16745724 0.82 GNPAT (0.62) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL7719184 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4ETHRBALOX15

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
CN-103397057-B Produce the microorganism of L-Methionine precursor and prepare L-Methionine and organic acid method by L-Methionine precursor CJ CHEILJEDANG CORP. (KR) 2016-03-23 CN disclosed
CN-101356281-B Microorganism producing L-methionine precursor and method for producing L-methionine and organic acid from L-methionine precursor CJ CHEILJEDANG CORP. (KR) 2015-08-19 CN disclosed
CN-102943096-B Microorganism producing l-methionine precursor and method of producing l-methionine and organic acid from the l-methionine precursor CJ CHEILJEDANG CORP 2014-08-27 CN disclosed
CN-103397057-A Microorganism producing L-methionine precursor and method of producing L-methionine and organic acid from L-methionine precursor CJ CHEILJEDANG CORP 2013-11-20 CN disclosed
CN-102943096-A Microorganism producing l-methionine precursor and method of producing l-methionine and organic acid from the l-methionine precursor CJ CHEILJEDANG CORP 2013-02-27 CN disclosed
CN-101356281-A Microorganism producing L-methionine precursor and method for producing L-methionine and organic acid from L-methionine precursor CJ CORP (KR) 2009-01-28 CN disclosed