Methyl Sinapate

Methyl Sinapate

SCHEMBL887912

COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(C=C(C)C(=O)O)cc(OC)c1O

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.60
PKM P14618 1/20 0.60
PTGS2 P35354 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57
EPHX2 P34913 1/20 0.55
ALOX5 P09917 9/20 0.54
MET P08581 5/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
APP P05067 1/20 0.50
STAT3 P40763 2/20 0.49
NFE2L2 Q16236 2/20 0.49
PTGES O14684 1/20 0.49
FDPS P14324 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL29447188 0.89 ALDH1A1 (0.60) EPHX2KDM4EGAAFDPS
Methyl Sinapate SCHEMBL2517008 0.87 CYP1A2 (0.74) PTGS1PKMPTGS2CYP1A2CYP3A4
SCHEMBL6072489 0.87 PKM (0.57) PTGS1PKMPTGS2CYP1A2CYP3A4
SCHEMBL30812355 0.87 PKM (0.57) PTGS1PKMPTGS2CYP1A2CYP3A4
Methyl Sinapate SCHEMBL9908304 0.87 CYP1A2 (0.74) PTGS1PKMPTGS2CYP1A2CYP3A4
Methyl Cis-Ferulate SCHEMBL29374619 0.83 EPHX2 (0.78) PTGS1PKMPTGS2CYP1A2CYP3A4
Methyl Cis-Ferulate SCHEMBL887914 0.83 EPHX2 (0.78) PTGS1PKMPTGS2CYP1A2CYP3A4
Methyl Cis-Ferulate SCHEMBL30298752 0.83 EPHX2 (0.78) PTGS1PKMPTGS2CYP1A2CYP3A4
SCHEMBL7158939 0.81 EPHX2 (0.69) PTGS1PKMPTGS2CYP1A2CYP3A4
SCHEMBL19202508 0.80 EPHX2 (0.63) PTGS1PKMPTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058513-B2 Polypeptides having feruloyl esterase activity and polynucleotides encoding same NOVOZYMES, INC. (US) 2011-11-15 US disclosed
US-8034995-B2 Polypeptides having feruloyl esterase activity and polynucleotides encoding same NOVOZYMES A/S (DK) 2011-10-11 US disclosed
EP-2356136-A1 POLYPEPTIDES HAVING FERULOYL ESTERASE ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME Novozymes Inc. (US) 2011-08-17 EP disclosed
US-20090151026-A1 Polypeptides having feruloyl esterase activity and polynucleotides encoding same NOVOZYMES A/S (DK) 2009-06-11 US disclosed