SCHEMBL9113863

SCHEMBL9113863

COc1ccc2ccc3c(c2c1)OCC=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
HNF4A P41235 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MTNR1A P48039 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.35
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 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
SCHEMBL28445528 0.76 STS (0.60) STSMEN1KMT2AMAPK1ALOX5
SCHEMBL29634256 0.76 STS (0.60) STSMEN1KMT2AMAPK1ALOX5
SCHEMBL29372595 0.74 CYP2B6 (0.43) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL1043402 0.74 CYP2B6 (0.43) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL29365059 0.74 CYP2B6 (0.43) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL4403406 0.73 MEN1 (0.42) CYP1A2CYP2A6MEN1KMT2AMTNR1A
SCHEMBL5229806 0.72 CA12 (0.49) STSMEN1KMT2AMTNR1AALOX5
SCHEMBL30545230 0.72 CA12 (0.49) STSMEN1KMT2AMTNR1AALOX5
SCHEMBL4402562 0.71 CYP1A2 (0.38) CYP1A2CYP2A6MEN1KMT2AMTNR1A
SCHEMBL27651642 0.71 MPL (0.45) STSMEN1KMT2AKDM4EALDH1A1

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
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO claimed