Acetic Acid

Acetic Acid

SCHEMBL5178172

CC(=O)O.CCCCC(N)(CCCC)C(=O)O

nearest known ligand 0.48

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 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 14/20 0.48
ARG2 P78540 12/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
ODC1 P11926 1/20 0.45
FDPS P14324 2/20 0.43

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
SCHEMBL185635 0.95 ARG1 (0.52) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL14088071 0.91 ARG2 (0.53) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL23010905 0.91 ARG1 (0.48) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL6129347 0.91 ARG2 (0.53) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL11414745 0.89 ARG2 (0.52) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL16887806 0.89 ARG2 (0.52) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL7087301 0.88 ARG2 (0.55) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL11421459 0.86 ARG2 (0.53) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL21219814 0.86 ARG2 (0.53) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL6666220 0.86 ARG2 (0.63) ARG1ARG2MEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0992490-B2 Flowable formed methionine products and method for producing the same DEGUSSA (DE) 2007-08-29 EP claimed
EP-0992490-B1 Flowable formed methionine products and method for producing the same DEGUSSA (DE) 2003-05-28 EP claimed