SCHEMBL16017944

SCHEMBL16017944

COc1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc5cc(C(C)(C)C)ccc5c4)ccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
CYP3A4 P08684 2/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
TDP2 O95551 2/20 0.39
CYP17A1 P05093 1/20 0.39
GSTP1 P09211 1/20 0.39
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PRF1 P14222 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NLRP3 Q96P20 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
SCHEMBL13358868 0.83 CYP3A4 (0.55) ADORA1CYP3A4TDP2PDK2KDM4E
SCHEMBL33722042 0.83 CYP3A4 (0.55) ADORA1CYP3A4TDP2PDK2KDM4E
SCHEMBL18932233 0.83 CYP3A4 (0.55) ADORA1CYP3A4TDP2PDK2KDM4E
SCHEMBL33527886 0.81 METAP1 (0.50) ADORA1CYP3A4KDM4EALDH1A1MAPT
SCHEMBL1904799 0.80 KIF11 (0.50) HSD17B1TDP2KDM4EALDH1A1MAPT
SCHEMBL1480944 0.76 ALDH1A1 (0.56) ADORA1CYP3A4TDP2PDK2KDM4E
SCHEMBL1480784 0.74 NLRP3 (0.36) ADORA1KDM4EALDH1A1MAPTHPGD
SCHEMBL2627140 0.73 CYP2A6 (0.56) HSD17B1HSD17B2CYP17A1GSTP1KDM4E
SCHEMBL2608411 0.73 MAPT (0.58) ALDH1A1MAPTHPGD
SCHEMBL40372 0.73 ALDH1A1 (0.45) HSD17B1TDP2KDM4EALDH1A1MAPT

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-9389523-B2 Electrophotographic photosensitive member, and electrophotographic apparatus and process cartridge each including the electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2016-07-12 US disclosed
US-9389523-B2 Electrophotographic photosensitive member, and electrophotographic apparatus and process cartridge each including the electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2016-07-12 US disclosed
US-20140255837-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2014-09-11 US disclosed
US-20140255837-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2014-09-11 US disclosed