Acetic Acid

Acetic Acid

SCHEMBL9116471

CC(=O)O.CC(=O)O.CC(=O)O.NCCCN

nearest known ligand 0.53

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
CYP1A2 P05177 3/20 0.53
GABRR1 P24046 3/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GABBR2 O75899 2/20 0.53
TSHR P16473 2/20 0.53
GABBR1 Q9UBS5 2/20 0.53
GABRR3 A8MPY1 1/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
HDAC3 O15379 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRR2 P28476 1/20 0.53
SLC6A1 P30531 1/20 0.53

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 SCHEMBL301894 1.00
Acetic Acid SCHEMBL9807766 1.00 CYP1A2 (0.53) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL4397846 1.00 CYP1A2 (0.53) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL707699 1.00 CYP1A2 (0.53) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL10590830 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL10590828 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL29029757 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL9615722 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL28975705 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM
Acetic Acid SCHEMBL7634596 0.97 PAOX (0.50) CYP1A2GABRR1LMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7140619-A None JP disclosed
EP-4365287-A1 METHOD FOR PROMOTING ENZYMATIC REACTION Kao Corporation (JP) 2024-05-08 EP disclosed
CN-117795042-A Liquid detergent composition for tableware cleaning machine 花王株式会社 2024-03-29 CN disclosed
CN-117377758-A Enzymatic reaction promotion method 花王株式会社 2024-01-09 CN disclosed
JP-H07140619-A PHOTOGRAPHIC PROCESSING SOLUTION HAVING BLEACHING CAPABILITY FUJI PHOTO FILM CO LTD 1995-06-02 JP disclosed