Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7225855

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 3/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL35574 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1260225 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2778020 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275191 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25228041 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275202 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25270629 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20503422 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8999977 0.93 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627688-B1 Adhesive compositions and adhesive sheets 3M INNOVATIVE PROPERTIES COMPANY 2003-09-30 US disclosed