Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28059697

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.59
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
Fumaric Acid SCHEMBL8925070 0.90 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Fumaric Acid SCHEMBL10717462 0.90 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Maleic Acid SCHEMBL28317871 0.90 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Fumaric Acid SCHEMBL10717454 0.90 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Maleic Acid SCHEMBL8772268 0.90 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Ethyl Fumarate SCHEMBL1067038 0.86 HCAR2 (0.80) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL40332 0.86 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL28173822 0.86 TSHR (0.54) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL8587658 0.86 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL28020506 0.86 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53

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
CN-106471019-A Acrylic rubber, acrylic rubber composition, acrylic rubber cross-linking agent and containment member 日本瑞翁株式会社 2017-03-01 CN disclosed
CN-103097482-B Linerless label 科思创德国股份有限公司 2016-08-03 CN disclosed