SCHEMBL13050002

SCHEMBL13050002

Cc1ccc(C(=Cc2ccc(N(c3ccc(C=C(c4ccccc4)c4ccc(C)cc4)cc3)c3ccc(C)cc3C)cc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
ESR1 P03372 2/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL14769858 1.00 PTGS2 (0.51) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL12576285 1.00 PTGS2 (0.51) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL19795461 0.99 PTGS2 (0.49) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL10057475 0.97 PTGS2 (0.47) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL12576286 0.95 PTGS2 (0.47) PTGS2ESR1CYP2D6MAPTRAB9A
SCHEMBL21029949 0.95 PTGS2 (0.47) PTGS2ESR1CYP2D6MAPTRAB9A
SCHEMBL13679109 0.94 PTGS2 (0.44) PTGS2ESR1CYP19A1CYP11B2MAPT
SCHEMBL15478868 0.94 PTGS2 (0.44) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL2614959 0.93 PTGS2 (0.44) PTGS2ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL12056065 0.93 PTGS2 (0.44) PTGS2ESR1CYP19A1CYP11B2CYP2D6

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