Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL8669867

C=CC(=O)O.C=CC(=O)OC.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABCB1 P08183 1/20 0.33

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
Acrylic Acid Methyl Ester SCHEMBL7948206 0.95 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Acrylic Acid SCHEMBL2123019 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Acrylic Acid SCHEMBL3027841 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Acrylic Acid SCHEMBL1100290 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Acrylic Acid Methyl Ester SCHEMBL29571653 0.90 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275202 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7111058 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275191 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20503422 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883658-A1 PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-16 — — EP disclosed
WO-1997031077-A1 PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-28 — — WO disclosed
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