Acetic Acid

Acetic Acid

SCHEMBL5720116

C=CCNC(C)(C)c1ccccc1.CC(=O)O

nearest known ligand 0.45

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
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
DPP4 P27487 1/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
VNN1 O95497 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL130070 0.91 KCNN4 (0.41) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
Succinic Acid SCHEMBL7270158 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
Succinic Acid SCHEMBL7270162 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
Bromide SCHEMBL1261498 0.90 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
Hydrochloric Acid SCHEMBL173850 0.90 ATM (0.42) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
SCHEMBL9567759 0.85 HTT (0.41) ALDH1A1SMN1; SMN2KDM4ETSHRGAA
SCHEMBL7735572 0.79 GAA (0.36) ALDH1A1SMN1; SMN2KDM4EGAAMAPK1
Ditiocarb SCHEMBL10336216 0.77 GAA (0.40) ALDH1A1SMN1; SMN2KDM4EGAAMAPK1
Saccharin SCHEMBL4783567 0.76 CA12 (0.52) ALDH1A1KDM4ETSHRGAAHTT
SCHEMBL10336217 0.76 GAA (0.39) ALDH1A1SMN1; SMN2KDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464630-B1 Aqueous coating liquid for forming a magnesium oxide film NOF CORP (JP) 2006-05-10 EP disclosed
US-6911072-B2 Aqueous coating liquid for forming a magnesium oxide film NOF CORPORATION (JP) 2005-06-28 US disclosed
US-20040247505-A1 Aqueous coating liquid for forming a magnesium oxide film NOF CORPORATION (JP) 2004-12-09 US disclosed
EP-1464630-A1 Aqueous coating liquid for forming a magnesium oxide film NOF CORPORATION (JP) 2004-10-06 EP disclosed