SCHEMBL599502

SCHEMBL599502

Oc1ccc2ccc(-c3cc4ccccc4cc3O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.68
CYP1A2 P05177 2/20 0.63
ESR1 P03372 11/20 0.61
MIF P14174 1/20 0.56
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX5 P09917 1/20 0.53
GSTP1 P09211 1/20 0.50
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50

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
SCHEMBL28988352 0.90 ALOX5 (0.63) ESR2CYP1A2ESR1MIFHSD17B1
SCHEMBL9456813 0.87 ESR2 (0.70) ESR2CYP1A2ESR1MIFHSD17B1
SCHEMBL11978649 0.86 ESR2 (0.80) ESR2CYP1A2ESR1HSD17B1HSD17B2
SCHEMBL29587268 0.86 ESR2 (0.80) ESR2CYP1A2ESR1HSD17B1HSD17B2
SCHEMBL297383 0.85 ESR2 (0.62) ESR2CYP1A2ESR1MIFHSD17B1
SCHEMBL632019 0.85 ESR2 (0.72) ESR2CYP1A2ESR1MIFHSD17B1
SCHEMBL14506125 0.84 ESR2 (0.83) ESR2CYP1A2ESR1HSD17B1HSD17B2
SCHEMBL14283894 0.84 ALOX5 (0.65) ESR2CYP1A2ESR1MIFHSD17B1
SCHEMBL3107306 0.84 ESR2 (0.83) ESR2CYP1A2ESR1HSD17B1HSD17B2
Betanaphthol SCHEMBL11026449 0.82 CYP1A2 (0.94) ESR2CYP1A2ESR1HSD17B1HSD17B2

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-20120041102-A1 NOVEL EPOXY RESIN AND EPOXY RESIN COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-02-16 US disclosed