SCHEMBL5726740

SCHEMBL5726740

C=CC1=C2c3ccc4c(cnn4S(=O)(=O)c4ccc(C)cc4)c3CC2(CC)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.42
ESR1 P03372 19/20 0.42

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
SCHEMBL5725365 0.89 ESR2 (0.45) ESR2ESR1
SCHEMBL5725880 0.89 ESR1 (0.54) ESR2ESR1
SCHEMBL5726283 0.83 ESR2 (0.42) ESR2ESR1
SCHEMBL5726055 0.83 ESR1 (0.53) ESR2ESR1
SCHEMBL5726168 0.81 ESR2 (0.44) ESR2ESR1
SCHEMBL5726405 0.79 ESR1 (0.43) ESR2ESR1
SCHEMBL5582444 0.78 ESR1 (0.48) ESR2ESR1
SCHEMBL5726170 0.76 ESR1 (0.53) ESR2ESR1
SCHEMBL5582353 0.74 ESR1 (0.52) ESR2ESR1
SCHEMBL5582354 0.73 ESR1 (0.43) 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 4 patents. 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
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO disclosed