SCHEMBL29577685

SCHEMBL29577685

COc1cc(/C=C/C(=O)OC/C=C/c2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.70
MET P08581 7/20 0.67
EPHX2 P34913 2/20 0.65
CA12 O43570 3/20 0.63
CA4 P22748 3/20 0.63
CA6 P23280 3/20 0.63
CA5A P35218 3/20 0.63
CA7 P43166 3/20 0.63
CA9 Q16790 3/20 0.63
CA14 Q9ULX7 3/20 0.63
CA5B Q9Y2D0 3/20 0.63
TTR P02766 3/20 0.63
APP P05067 3/20 0.62
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 2/20 0.61
TSHR P16473 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 2/20 0.61
ALOX5 P09917 2/20 0.61
NFKB1 P19838 2/20 0.61

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
SCHEMBL15019742 1.00 MAOB (0.70) MAOBMETEPHX2CA12CA4
SCHEMBL27520787 0.96 MAOB (0.76) MAOBMETEPHX2CA12CA4
SCHEMBL434930 0.96 MAOB (0.76) MAOBMETEPHX2CA12CA4
SCHEMBL10054940 0.96 MAOB (0.76) MAOBMETEPHX2CA12CA4
SCHEMBL29578252 0.93 MET (0.65) MAOBMETEPHX2TTRAPP
SCHEMBL20515824 0.91 MET (0.69) MAOBMETEPHX2CA12CA4
SCHEMBL17866313 0.91 MET (0.72) MAOBMETEPHX2CA12CA4
SCHEMBL20515823 0.91 MET (0.69) MAOBMETEPHX2CA12CA4
SCHEMBL20515821 0.91 MET (0.69) MAOBMETEPHX2CA12CA4
SCHEMBL432405 0.91 MET (0.69) MAOBMETEPHX2CA12CA4

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-11326178-B2 P-coumaroyl-CoA:monolignol transferase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-05-10 US disclosed