SCHEMBL5725951

SCHEMBL5725951

CCC(=O)CCC1(CC)Cc2c(ccc3[nH]nnc23)C1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30

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
SCHEMBL5726188 0.74
SCHEMBL5726121 0.70 NPC1 (0.31)
SCHEMBL5726418 0.70 BUB1 (0.34)
SCHEMBL5432860 0.65 ESR2 (0.67) ESR2
SCHEMBL5725670 0.64 CYP19A1 (0.32) ESR2
SCHEMBL5432545 0.64 ESR2 (0.67) ESR2
SCHEMBL5432124 0.63 ESR2 (0.67) ESR2
SCHEMBL2419168 0.63 UTS2R (0.37) ESR2
SCHEMBL2418588 0.62 NOTUM (0.33) ESR2
SCHEMBL5428093 0.62 ESR1 (0.68) ESR2

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