SCHEMBL14506092

SCHEMBL14506092

Oc1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 11/20 0.59
▸ ESR1 P03372 10/20 0.59
▸ CYP1A2 P05177 4/20 0.57
▸ HSD17B1 P14061 4/20 0.56
▸ HSD17B2 P37059 4/20 0.56
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2B6 P20813 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ ABL1 P00519 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ BCR P11274 1/20 0.50
▸ ALOX5 P09917 1/20 0.49
▸ CYP19A1 P11511 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 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
SCHEMBL14506091 0.93 CYP1A2 (0.65) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL269358 0.89 ESR1 (0.50) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL2964464 0.89 ESR1 (0.50) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL12571896 0.86 ESR2 (0.68) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL21238074 0.86 ESR1 (0.52) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL19720301 0.86 ESR1 (0.52) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL13015669 0.84 ESR2 (0.69) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL29375861 0.84 ESR1 (0.50) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL18880023 0.84 CYP1B1 (0.48) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL259152 0.84 ESR1 (0.50) ESR2ESR1CYP1A2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 — — US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 — — US disclosed
EP-1937616-B1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2014-12-17 — — EP disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 — — US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 — — US disclosed
US-8674138-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2014-03-18 — — US disclosed
US-8674138-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2014-03-18 — — US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 — — US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 — — US disclosed
WO-2007046658-A1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-04-26 — — WO disclosed
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