Acrylic Acid

Acrylic Acid

SCHEMBL7940849

C=CC(=O)O.C=CC(=O)OCC[N+](C)(C)C.C=CC(N)=O.[Cl-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 6/20 0.53
CHRM3 known ✓ P20309 6/20 0.53
CHRM2 known ✓ P08172 5/20 0.53
CHRM5 P08912 6/20 0.53
CHRM4 P08173 5/20 0.53
TSHR P16473 6/20 0.50
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNA7 P36544 3/20 0.50
HTR1A P08908 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRA2A P08913 1/20 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
Acrylamide SCHEMBL1008385 0.95 CHRM5 (0.58) CHRM5CHRM1CHRM3CHRM2CHRM4
Acrylic Acid SCHEMBL28086889 0.90 TSHR (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4
Acrylic Acid SCHEMBL3223308 0.89 CHRM5 (0.51) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL134541 0.88 CHRM5 (0.57) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL25422044 0.86 TSHR (0.56) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL20908 0.86 TSHR (0.56) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL27681180 0.84 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL1703727 0.84 TSHR (0.54) CHRM5CHRM1CHRM3CHRM2CHRM4
Fluoride Ion SCHEMBL1254299 0.84 TSHR (0.54) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL28367647 0.84 TSHR (0.54) CHRM5CHRM1CHRM3CHRM2CHRM4

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
EP-1069140-A1 WATER-SOLUBLE POLYMER, PROCESS FOR THE PRODUCTION OF THE SAME, AND USE THEREOF AS POLYMERIC COAGULANT SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-17 EP disclosed