SCHEMBL13980507

SCHEMBL13980507

Cc1cc(C)c2oc(-c3ccc(O)cc3)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.79
▸ ESR2 Q92731 11/20 0.79
▸ CSNK2A2 P19784 3/20 0.64
▸ CSNK2B P67870 3/20 0.64
▸ CSNK2A1 P68400 3/20 0.64
▸ SHBG P04278 1/20 0.49
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46

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
SCHEMBL1119325 0.88 ESR1 (1.00) ESR1ESR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL10906162 0.80 ESR1 (0.51) ESR1ESR2CSNK2A2CSNK2BCSNK2A1
Iodide SCHEMBL10901962 0.78 ESR1 (0.49) ESR1ESR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3927613 0.72 ESR1 (0.67) ESR1ESR2SHBG
SCHEMBL3922992 0.71 ESR1 (1.00) ESR1ESR2SHBG
SCHEMBL3925852 0.71 ESR1 (0.57) ESR1ESR2SHBG
SCHEMBL3927964 0.71 ESR1 (1.00) ESR1ESR2SHBG
SCHEMBL3934323 0.71 ESR1 (0.66) ESR1ESR2SHBG
SCHEMBL3928011 0.71 ESR1 (1.00) ESR1ESR2
SCHEMBL3932733 0.71 ESR1 (0.68) ESR1ESR2CSNK2A2CSNK2BCSNK2A1

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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