Acetic Acid

Acetic Acid

SCHEMBL28077703

CC(=O)O.CON=C(NOC)N(S)c1ccccc1

nearest known ligand 0.35

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 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4947041 0.75 MEN1 (0.32) KMT2AMEN1MTNR1AMTNR1B
SCHEMBL28248375 0.70 L3MBTL1 (0.46) KMT2AMEN1TRPM8ALDH1A1TSHR
SCHEMBL14921002 0.67 NPSR1 (0.46) KMT2AMEN1TRPM8ALDH1A1MTNR1A
SCHEMBL28666537 0.65 KMT2A (0.54) KMT2AMEN1TRPM8ALDH1A1TSHR
SCHEMBL8493070 0.64 KMT2A (0.41) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL28679268 0.64 PKM (0.50) KMT2AMEN1ALDH1A1L3MBTL1NPSR1
SCHEMBL8537305 0.64 RAB9A (0.43) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL1681249 0.64 NPSR1 (0.46) KMT2ATRPM8ALDH1A1TSHRMAPT
SCHEMBL11372476 0.63 LMNA (0.42) KMT2AMEN1TRPM8ALDH1A1MTNR1A
SCHEMBL2933654 0.63 NPSR1 (0.50) KMT2AMEN1TRPM8ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434941-A Resin combination and cured film 住友化学株式会社 2017-12-05 CN disclosed
CN-105842986-A Coloring photosensitive resin composition 住友化学株式会社 2016-08-10 CN disclosed
CN-105842985-A Colored photosensitive resin composition 住友化学株式会社 2016-08-10 CN disclosed