SCHEMBL13980441

SCHEMBL13980441

BCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 18/20 0.72
▸ ESR1 P03372 17/20 0.72
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL3922669 0.87 ESR1 (0.72) ESR2ESR1CYP3A4
SCHEMBL3939004 0.84 ESR2 (1.00) ESR2ESR1
SCHEMBL13980442 0.84 ESR1 (0.67) ESR2ESR1
SCHEMBL3931988 0.80 ESR1 (1.00) ESR2ESR1CYP3A4
SCHEMBL3935342 0.76 ESR1 (1.00) ESR2ESR1
SCHEMBL3933585 0.72 ESR2 (0.68) ESR2ESR1
SCHEMBL3934214 0.70 ESR2 (0.69) ESR2ESR1
SCHEMBL13980468 0.70 ESR1 (0.64) ESR2ESR1
SCHEMBL3921715 0.69 ESR1 (0.68) ESR2ESR1
SCHEMBL3932733 0.69 ESR1 (0.68) ESR2ESR1

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
EP-1458700-B1 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH CORP (US) 2008-12-03 — — EP disclosed
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