SCHEMBL6136863

SCHEMBL6136863

CCCCC12CCC(=O)C=C1c1ccc(O)c(Cl)c1C2C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.44
ESR1 P03372 14/20 0.44

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
SCHEMBL6136865 0.73 ESR2 (0.38) ESR2ESR1
SCHEMBL6150761 0.70 ESR2 (0.40) ESR2ESR1
SCHEMBL5334891 0.65 ESR2 (0.37) ESR2ESR1
SCHEMBL2418440 0.64 ESR2 (0.65) ESR2ESR1
SCHEMBL4855050 0.62 ESR2 (0.84) ESR2ESR1
SCHEMBL5338949 0.61 ESR2 (0.38) ESR2ESR1
SCHEMBL6150947 0.61 ESR2 (0.38) ESR2ESR1
SCHEMBL11110504 0.60 ESR2 (0.62) ESR2ESR1
SCHEMBL6151419 0.60 ESR2 (0.56) ESR2ESR1
SCHEMBL2417486 0.60 ESR2 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO disclosed