Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28055940

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

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
EP300 Q09472 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 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
SCHEMBL28324880 0.87 EP300 (0.46) EP300CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7429328 0.86 EP300 (0.43) EP300CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7429337 0.86 EP300 (0.43) EP300CYP1A2CYP2D6CYP2C9CYP2C19
Acrylic Acid Methyl Ester SCHEMBL28215042 0.83 TSHR (0.51) TSHRHPGDEP300ZDHHC20ZDHHC2
SCHEMBL9799758 0.81 EP300 (0.36) TSHREP300CYP2D6CYP2C19ALDH1A1
SCHEMBL9799762 0.81 EP300 (0.36) TSHREP300CYP2D6CYP2C19ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28215041 0.80 TSHR (0.49) TSHRHPGDCYP3A4ALDH1A1PLA2G2C
SCHEMBL26109592 0.79 TSHR (0.43) TSHRHPGDEP300ZDHHC20ZDHHC2
SCHEMBL9576583 0.79 TSHR (0.43) TSHRHPGDEP300ZDHHC20ZDHHC2
SCHEMBL22572579 0.77 TSHR (0.42) TSHRHPGDEP300ZDHHC20ZDHHC2

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
CN-103025837-B Adhesive composition NIPPON CARBIDE INDUSTRIES CO.,INC. (JP) 2016-05-04 CN disclosed