SCHEMBL2379728

SCHEMBL2379728

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
GSTP1 P09211 1/20 0.52
ALOX5 P09917 2/20 0.50
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PDE9A O76083 1/20 0.46
IKBKB O14920 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45

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
SCHEMBL36279 1.00 ESR1 (0.52) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL29350362 1.00 ESR1 (0.52) ESR1ESR2GSTP1ALOX5HSD17B1
Methane SCHEMBL27979911 0.98 ESR1 (0.50) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL25566510 0.98 ESR1 (0.50) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL25060858 0.98 ESR1 (0.50) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL3867431 0.95 ESR1 (0.48) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL5502280 0.93 ESR1 (0.53) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL30730877 0.93 ESR1 (0.53) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL30150716 0.93 ESR1 (0.57) ESR1ESR2GSTP1ALOX5HSD17B1
SCHEMBL2089825 0.93 ESR1 (0.57) ESR1ESR2GSTP1ALOX5HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017252-B2 Light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-09-13 US disclosed