SCHEMBL5727017

SCHEMBL5727017

CCCCC12CCC(=O)C(C(C)=O)=C1c1cc(F)c(N)c(C)c1C2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.43
ESR1 P03372 19/20 0.43

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
SCHEMBL5334278 0.90 ESR2 (0.43) ESR2ESR1
SCHEMBL5336366 0.90 ESR2 (0.46) ESR2ESR1
SCHEMBL5727270 0.87 ESR2 (0.41) ESR2ESR1
SCHEMBL5335858 0.87 ESR2 (0.55) ESR2ESR1
SCHEMBL5340395 0.86 ESR2 (0.54) ESR2ESR1
SCHEMBL5334094 0.85 ESR2 (0.55) ESR2ESR1
SCHEMBL5336006 0.85 ESR2 (0.54) ESR2ESR1
SCHEMBL5338180 0.83 ESR2 (0.51) ESR2ESR1
SCHEMBL5348405 0.83 ESR2 (0.57) ESR2ESR1
SCHEMBL5336101 0.82 ESR2 (0.56) 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