SCHEMBL17932020

SCHEMBL17932020

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccccc8cc7c6c5)cc4)c4ccccc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
ALOX5 P09917 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
S1PR5 Q9H228 3/20 0.35
S1PR4 O95977 2/20 0.35
GSTP1 P09211 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE9A O76083 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GPR3 P46089 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL17247064 1.00 ESR1 (0.41) ESR1ESR2ALOX5CA1CA2
SCHEMBL19082281 0.99 ESR1 (0.40) ESR1ESR2ALOX5CA1CA2
SCHEMBL17247091 0.96 HSD17B1 (0.40) ESR1ESR2ALOX5CA1CA2
SCHEMBL24341704 0.96 ESR1 (0.38) ESR1ESR2ALOX5CA1CA2
SCHEMBL17247054 0.95 ESR1 (0.37) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL24118978 0.94 ESR1 (0.41) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17944343 0.94 ESR1 (0.40) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17944417 0.94 ESR1 (0.43) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL22218990 0.94 ESR1 (0.36) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL19080288 0.94 ESR1 (0.43) ESR1ESR2ALOX5CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
EP-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed