SCHEMBL8739832

SCHEMBL8739832

Cc1cc(C)c(N(c2ccc(-c3cccc(N(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c3)cc2)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
MAPT P10636 1/20 0.35
PNPLA2 Q96AD5 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PSMB5 P28074 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
KMT2A Q03164 1/20 0.32
ENPP3 O14638 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL17138223 0.93 TNKS2 (0.37) HSD17B1HSD17B2MAPTTNKS2PSMB5
SCHEMBL19727222 0.85 RXRA (0.32) MAPTPSMB5CYP3A4MEN1KMT2A
SCHEMBL13580177 0.83 HSD17B1 (0.41) HSD17B1HSD17B2PNPLA2HDAC6CYP3A4
SCHEMBL9581710 0.83 HSD17B1 (0.41) HSD17B1HSD17B2PNPLA2HDAC6CYP3A4
SCHEMBL29756522 0.83 HSD17B1 (0.41) HSD17B1HSD17B2PNPLA2HDAC6CYP3A4
SCHEMBL9244552 0.83 ALDH1A1 (0.39) MAPTPSMB5CYP3A4CYP2C9MEN1
SCHEMBL16344198 0.83 PSMB5 (0.42) MAPTTNKS2PSMB5CYP3A4CYP2C9
SCHEMBL8765461 0.82 ACHE (0.38)
SCHEMBL8739620 0.81 HSD17B1 (0.51) HSD17B1HSD17B2MAPTCYP3A4CYP2C9
SCHEMBL13949243 0.81 ALDH1A1 (0.37) MAPTCYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289015-B1 Multicolor light emission apparatus and manufacturing method thereof KONICA CORP (JP) 2012-05-23 EP disclosed
US-20090317136-A1 MULTILAYERED ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMATION APPARATUS PROVIDED WITH THE SAME SHARP KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed
US-20090317136-A1 MULTILAYERED ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMATION APPARATUS PROVIDED WITH THE SAME SHARP KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed