Acetic Acid

Acetic Acid

SCHEMBL3940290

CC(=O)O.NC(=O)CNCC(N)=O

nearest known ligand 0.44

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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
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
FFAR3 O14843 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
CRBN Q96SW2 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 1/20 0.33
CTH P32929 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3259179 0.87
SCHEMBL2891878 0.86
Methane SCHEMBL27513311 0.84 MAOA (0.50) MAOAMAOBLMNAALOX15BLM
Hydrochloric Acid SCHEMBL9654361 0.84 MAOA (0.50) MAOAMAOBLMNAALOX15BLM
SCHEMBL5662445 0.82 MAOA (0.44) MAOAMAOBLMNAACHEKDM4E
SCHEMBL164711 0.82
Methane SCHEMBL27587764 0.81 MAOA (0.48) MAOAMAOBLMNAALOX15BLM
SCHEMBL5930720 0.81
SCHEMBL3195621 0.81
Acetic Acid SCHEMBL16792627 0.80 FFAR3 (0.39) MAOAMAOBFFAR3LCKFYN

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
EP-1770169-B1 Process for producing glycine ASAHI CHEMICAL IND (JP) 2009-04-01 EP disclosed
EP-1243657-B1 PROCESS FOR PRODUCING GLYCINE ASAHI CHEMICAL IND (JP) 2007-08-29 EP disclosed
EP-1770169-A1 Process for producing glycine Asahi Kasei Kabushiki Kaisha (JP) 2007-04-04 EP disclosed
US-6916638-B2 Process for producing glycine ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-07-12 US disclosed
US-20030040085-A1 Process for producing glycine ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-02-27 US disclosed
EP-1243657-A1 PROCESS FOR PRODUCING GLYCINE Asahi Kasei Kabushiki Kaisha (JP) 2002-09-25 EP disclosed