SCHEMBL13050003

SCHEMBL13050003

Cc1ccc(C(=Cc2ccc(N(c3ccc(C=C(c4ccccc4)c4ccc(C)c(C)c4)cc3)c3ccc(C)c(C)c3)cc2)c2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ESR1 P03372 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.39
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13030248 0.96 PTGS2 (0.45) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL13050004 0.96 PTGS2 (0.45) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL12533941 0.96 PTGS2 (0.45) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL13050001 0.93 PTGS2 (0.52) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL19911156 0.93 PTGS2 (0.52) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL12189993 0.93 PTGS2 (0.52) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL13741445 0.93 PTGS2 (0.52) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL14003819 0.92 PTGS2 (0.42) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL10092965 0.92 PTGS2 (0.50) PTGS2CES2CES1ESR1CYP19A1
SCHEMBL14491187 0.92 PTGS2 (0.42) PTGS2CES2CES1ESR1CYP19A1

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-8349529-B2 Electrophotographic photoconductor, and electrophotographic method, electrophotographic apparatus and process cartridge containing the electrophotographic photoconductor RICOH COMPANY, LTD. (JP) 2013-01-08 US disclosed
US-8349529-B2 Electrophotographic photoconductor, and electrophotographic method, electrophotographic apparatus and process cartridge containing the electrophotographic photoconductor RICOH COMPANY, LTD. (JP) 2013-01-08 US disclosed
US-20100290807-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, AND ELECTROPHOTOGRAPHIC METHOD, ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE CONTAINING THE ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 2010-11-18 US disclosed
US-20100290807-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, AND ELECTROPHOTOGRAPHIC METHOD, ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE CONTAINING THE ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 2010-11-18 US disclosed