Acrylic Acid

Acrylic Acid

SCHEMBL11242922

C=CC(=O)O.C=CC(=O)OCCOC(=O)C=C.CC(=O)O

nearest known ligand 0.64

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
ALDH1A1 P00352 5/20 0.64
TP53 P04637 3/20 0.64
HIF1A Q16665 3/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP3A4 P08684 2/20 0.58
HPGD P15428 1/20 0.57
THRB P10828 3/20 0.52
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 5/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35

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 SCHEMBL3361156 0.95 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL2687062 0.93 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL7994092 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL28207176 0.86 TSHR (0.81) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.85 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.85 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL28207751 0.85 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
Acetic Acid SCHEMBL11743292 0.84 TSHR (0.83) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL1368610 0.84 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL27896375 0.84 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309484-A CROSSLINKED HYDRATION PRODUCT OF COPOLYMER OF ETHYLENE AND GLYCIDYL ACRYLATE OR METHACRYLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-05 US disclosed