SCHEMBL6828720

SCHEMBL6828720

C=Cc1cc(OC)cc2c(=O)oc3c(C)c(O)ccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 1.00
ESR1 P03372 15/20 0.74

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
SCHEMBL6828110 0.85 ESR2 (1.00) ESR2ESR1
SCHEMBL6825368 0.82 ESR2 (1.00) ESR2ESR1
SCHEMBL6824968 0.78 ESR2 (1.00) ESR2ESR1
SCHEMBL6828637 0.72 ESR2 (1.00) ESR2ESR1
SCHEMBL6828448 0.71 ESR2 (1.00) ESR2ESR1
SCHEMBL3766383 0.71 KDM4E (0.74) ESR2ESR1
SCHEMBL6829011 0.69 ESR2 (1.00) ESR2ESR1
SCHEMBL6828932 0.69 ESR2 (1.00) ESR2ESR1
SCHEMBL22413028 0.69 ESR2 (0.77) ESR2ESR1
SCHEMBL14613174 0.68 ERN1 (0.67) ESR2

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
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed