SCHEMBL5726262

SCHEMBL5726262

CCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1OC2=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.72
ESR2 Q92731 20/20 0.72

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
SCHEMBL5441515 0.84 ESR1 (1.00) ESR1ESR2
SCHEMBL5421745 0.74 ESR2 (1.00) ESR1ESR2
SCHEMBL5727164 0.72 ESR1 (0.59) ESR1ESR2
SCHEMBL5421283 0.72 ESR1 (1.00) ESR1ESR2
SCHEMBL5425066 0.71 ESR1 (1.00) ESR1ESR2
SCHEMBL5428232 0.70 ESR1 (1.00) ESR1ESR2
SCHEMBL5428947 0.69 ESR2 (1.00) ESR1ESR2
SCHEMBL5582295 0.65 ESR1 (0.79) ESR1ESR2
SCHEMBL1658311 0.65 ESR1 (1.00) ESR1ESR2
SCHEMBL5424359 0.64 ESR2 (1.00) ESR1ESR2

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