SCHEMBL5725744

SCHEMBL5725744

CCC12CCC(=O)C(C(F)(F)F)=C1c1ccc(NC(C)=O)c(C)c1C2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.57
ESR1 P03372 19/20 0.57

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
SCHEMBL5726345 0.90 ESR2 (0.59) ESR2ESR1
SCHEMBL5726266 0.84 ESR1 (0.55) ESR2ESR1
SCHEMBL5726235 0.77 ESR2 (0.54) ESR2ESR1
SCHEMBL5726037 0.76 ESR2 (0.51) ESR2ESR1
SCHEMBL5726270 0.75 ESR2 (0.54) ESR2ESR1
SCHEMBL5725999 0.75 ESR2 (0.57) ESR2ESR1
SCHEMBL5582147 0.72 ESR1 (0.47) ESR2ESR1
SCHEMBL5430051 0.71 ESR2 (0.69) ESR2ESR1
SCHEMBL5339578 0.71 ESR2 (0.65) ESR2ESR1
SCHEMBL5336245 0.69 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 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