SCHEMBL6151419

SCHEMBL6151419

CCCCC12CC(=O)C=C1c1ccc(O)cc1CC2Br

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.56
ESR1 P03372 17/20 0.56

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
SCHEMBL6150425 0.89 ESR2 (0.56) ESR2ESR1
SCHEMBL6151832 0.88 ESR2 (0.53) ESR2ESR1
SCHEMBL6150771 0.81 ESR2 (0.55) ESR2ESR1
SCHEMBL6151086 0.81 ESR2 (0.39) ESR2ESR1
SCHEMBL6150761 0.81 ESR2 (0.40) ESR2ESR1
SCHEMBL6150789 0.78 ESR2 (0.52) ESR2ESR1
SCHEMBL4858909 0.77 ESR2 (0.54) ESR2ESR1
SCHEMBL4858848 0.77 ESR2 (0.80) ESR2ESR1
SCHEMBL4858739 0.74 ESR2 (0.83) ESR2ESR1
SCHEMBL4855050 0.71 ESR2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 WO disclosed