SCHEMBL16020439

SCHEMBL16020439

Oc1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc5c(c4)Cc4cc(-c6ccc7c(c6)Cc6cc(-c8ccc(O)cc8)ccc6-7)ccc4-5)ccc2-3)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.58
ESR1 P03372 9/20 0.53
ESR2 Q92731 7/20 0.53
TDP2 O95551 2/20 0.53
ADORA1 P30542 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.48
HSD17B2 P37059 1/20 0.46
CHEK1 O14757 1/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL28091062 1.00 HSD17B1 (0.58) HSD17B1ESR1ESR2TDP2ADORA1
SCHEMBL28023619 0.90 KDM4E (0.52) HSD17B1ESR1ESR2TDP2ADORA1
SCHEMBL27280684 0.83 ESR2 (0.52) HSD17B1ESR1ESR2TDP2ADORA1
SCHEMBL28217038 0.82 TDP2 (0.54) HSD17B1ESR1ESR2TDP2MEN1
SCHEMBL788852 0.80 HSD17B1 (0.64) HSD17B1ESR1ESR2
SCHEMBL29439100 0.80 HSD17B1 (0.64) HSD17B1ESR1ESR2
SCHEMBL1482920 0.79 TDP2 (0.61) ESR1ESR2TDP2MEN1KMT2A
SCHEMBL3136254 0.79 TDP2 (0.61) ESR1ESR2TDP2MEN1KMT2A
SCHEMBL29569358 0.79 TDP2 (0.61) ESR1ESR2TDP2MEN1KMT2A
SCHEMBL1482704 0.77 CYP3A4 (0.51) ESR1ESR2TDP2

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 2 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-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