SCHEMBL5013872

SCHEMBL5013872

c1ccc2cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.71
ESR2 Q92731 3/20 0.71
ALOX5 P09917 1/20 0.68
HSD17B1 P14061 1/20 0.65
HSD17B2 P37059 1/20 0.65
GSTP1 P09211 1/20 0.64
CYP17A1 P05093 1/20 0.60
CYP19A1 P11511 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ACMSD Q8TDX5 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL239121 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15902840 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239998 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239993 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30603836 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL31039575 0.97 ESR1 (0.76) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL18260181 0.97 ESR1 (0.76) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL14994162 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL3424690 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15842052 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 US disclosed