SCHEMBL5725947

SCHEMBL5725947

CCCC[C@]12CCC(=O)C(CC)=C1c1ccc3[nH]nnc3c1C2

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.69
ESR1 P03372 19/20 0.69

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
SCHEMBL5428910 1.00 ESR2 (0.69) ESR2ESR1
SCHEMBL5727590 1.00 ESR2 (0.69) ESR2ESR1
SCHEMBL5425378 0.94 ESR2 (0.67) ESR2ESR1
SCHEMBL5424665 0.93 ESR1 (0.68) ESR2ESR1
SCHEMBL5426263 0.91 ESR1 (0.58) ESR2ESR1
SCHEMBL5422950 0.90 ESR2 (0.67) ESR2ESR1
SCHEMBL5432480 0.89 ESR2 (0.69) ESR2ESR1
SCHEMBL5420001 0.88 ESR1 (0.69) ESR2ESR1
SCHEMBL5426479 0.87 ESR2 (0.67) ESR2ESR1
SCHEMBL5428916 0.86 ESR2 (0.69) 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 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