SCHEMBL9329892

SCHEMBL9329892

COc1cc(/C=C/C(=O)OCC=C(C)C)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.76
MAOB P27338 2/20 0.72
PTGES O14684 3/20 0.69
EPHX2 P34913 1/20 0.67
MET P08581 7/20 0.65
CA12 O43570 4/20 0.65
CA4 P22748 4/20 0.65
CA6 P23280 4/20 0.65
CA5A P35218 4/20 0.65
CA7 P43166 4/20 0.65
CA9 Q16790 4/20 0.65
CA14 Q9ULX7 4/20 0.65
CA5B Q9Y2D0 4/20 0.65
APP P05067 2/20 0.64
CYP2D6 P10635 3/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 2/20 0.63
ALOX5 P09917 2/20 0.63

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
SCHEMBL9329895 1.00 TTR (0.76) TTRMAOBPTGESEPHX2MET
SCHEMBL9333279 0.91 TTR (0.64) TTRMAOBPTGESEPHX2MET
SCHEMBL9333276 0.91 TTR (0.64) TTRMAOBPTGESEPHX2MET
SCHEMBL30302461 0.90 PTGES (0.73) TTRMAOBPTGESEPHX2MET
SCHEMBL29145012 0.90 PTGES (0.73) TTRMAOBPTGESEPHX2MET
SCHEMBL18585756 0.90 PTGES (0.73) TTRMAOBPTGESEPHX2MET
SCHEMBL18010096 0.89 PTGES (0.70) TTRMAOBPTGESALOX5NFE2L2
SCHEMBL16692678 0.89 PTGES (0.77) TTRMAOBPTGESAPPALOX5
SCHEMBL16692689 0.89 PTGES (0.70) TTRMAOBPTGESALOX5NFE2L2
SCHEMBL18010087 0.89 PTGES (0.77) TTRMAOBPTGESAPPALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380669-B1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO CORP (JP) 1994-03-23 EP disclosed
US-5130483-A Antiulcer agents and enzyme inhibitors TERUMO KABUSHIKI KAISHA (JP) 1992-07-14 US disclosed
EP-0380669-A1 ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed