SCHEMBL6828329

SCHEMBL6828329

CCCc1cccc2c(=O)oc3c(C)c(O)ccc3c12

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.67
ESR1 P03372 15/20 0.62

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
SCHEMBL6828383 0.81 ESR2 (1.00) ESR2ESR1
SCHEMBL6828932 0.74 ESR2 (1.00) ESR2ESR1
SCHEMBL6825266 0.74 ESR2 (1.00) ESR2ESR1
SCHEMBL15984890 0.74 KDM4E (0.64)
SCHEMBL6825368 0.72 ESR2 (1.00) ESR2ESR1
SCHEMBL3766383 0.70 KDM4E (0.74) ESR2ESR1
SCHEMBL6828759 0.70 ESR2 (1.00) ESR2ESR1
SCHEMBL6828448 0.69 ESR2 (1.00) ESR2ESR1
SCHEMBL29157679 0.69 ESR2 (0.71) ESR2ESR1
SCHEMBL10790872 0.69 HSD17B3 (0.55)

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 claimed