SCHEMBL7056839

SCHEMBL7056839

CC1=C(c2ccc(O)cc2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.94

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.94
ESR2 Q92731 16/20 0.94

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
SCHEMBL27499 0.97 ESR1 (1.00) ESR1ESR2
SCHEMBL1821303 0.97 ESR1 (1.00) ESR1ESR2
SCHEMBL29354115 0.97 ESR1 (1.00) ESR1ESR2
SCHEMBL7058506 0.96 ESR1 (0.98) ESR1ESR2
SCHEMBL7056486 0.95 ESR1 (0.91) ESR1ESR2
SCHEMBL6259524 0.90 ESR1 (0.84) ESR1ESR2
SCHEMBL2898159 0.90 ESR1 (0.84) ESR1ESR2
Acolbifene SCHEMBL7207561 0.89 ESR1 (1.00) ESR1ESR2
Acolbifene SCHEMBL4447852 0.89 ESR1 (1.00) ESR1ESR2
Acolbifene SCHEMBL406183 0.89 ESR1 (1.00) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167364-B1 Benzopyran-containing compounds and prodrug forms thereof ENDORECH INC (CA) 2003-05-21 EP disclosed
EP-0811006-B1 BENZOPYRAN-CONTAINING COMPOUNDS AND METHOD FOR THEIR USE ENDORECH INC (CA) 2003-05-02 EP disclosed
EP-1167364-A1 Benzopyran-containing compounds and prodrug forms thereof Endorecherche Inc. (CA) 2002-01-02 EP disclosed
US-6060503-A ANTIESTROGENIC, ANTICARCINOGENIC STEREOSPECIFIC BENZOPYRAN DERIVATIVE; BREAST CANCER ENDORECHERCHE, INC. (CA) 2000-05-09 US disclosed
WO-1996026201-A1 BENZOPYRAN-CONTAINING COMPOUNDS AND METHOD FOR THEIR USE ENDORECHERCHE, INC. (CA) 1996-08-29 WO disclosed