SCHEMBL5725880

SCHEMBL5725880

CCC12CCC(=O)C(C)=C1c1ccc3c(cnn3S(=O)(=O)c3ccc(C)cc3)c1C2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.54
ESR2 Q92731 19/20 0.54

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
SCHEMBL5726740 0.89 ESR2 (0.42) ESR1ESR2
SCHEMBL5725365 0.88 ESR2 (0.45) ESR1ESR2
SCHEMBL5726055 0.87 ESR1 (0.53) ESR1ESR2
SCHEMBL5726168 0.85 ESR2 (0.44) ESR1ESR2
SCHEMBL5726405 0.83 ESR1 (0.43) ESR1ESR2
SCHEMBL5725426 0.81 ESR2 (0.55) ESR1ESR2
SCHEMBL5582444 0.81 ESR1 (0.48) ESR1ESR2
SCHEMBL5726170 0.79 ESR1 (0.53) ESR1ESR2
SCHEMBL5582353 0.77 ESR1 (0.52) ESR1ESR2
SCHEMBL5582354 0.76 ESR1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed