SCHEMBL5725288

SCHEMBL5725288

CCCCC12CCC(=O)C(CC)=C1c1ccc(N)cc1C2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.76
ESR1 P03372 19/20 0.76

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
SCHEMBL2417758 0.86 ESR2 (1.00) ESR2ESR1
SCHEMBL2419298 0.86 ESR2 (0.76) ESR2ESR1
SCHEMBL5727094 0.82 ESR2 (0.64) ESR2ESR1
SCHEMBL5337390 0.82 ESR2 (0.64) ESR2ESR1
SCHEMBL5727330 0.81 ESR2 (0.64) ESR2ESR1
SCHEMBL5726184 0.81 ESR2 (0.64) ESR2ESR1
SCHEMBL5728488 0.81 ESR2 (0.64) ESR2ESR1
SCHEMBL2420213 0.79 ESR2 (1.00) ESR2ESR1
SCHEMBL2415627 0.79 ESR2 (1.00) ESR2ESR1
SCHEMBL5339597 0.77 ESR2 (0.75) 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