SCHEMBL6137643

SCHEMBL6137643

CCCCC1c2c(ccc(O)c2Cl)C2=C(C)C(=O)CCC21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.34
ESR1 P03372 4/20 0.34

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
SCHEMBL2418579 0.90 ESR2 (0.35) ESR2ESR1
SCHEMBL6137326 0.86 ESR1 (0.37) ESR2ESR1
SCHEMBL2421174 0.79 KDM4E (0.33)
SCHEMBL6313142 0.72 ESR1 (0.32) ESR2ESR1
SCHEMBL6137646 0.71 ESR2 (0.30) ESR2ESR1
SCHEMBL2417367 0.71 SHBG (0.41) ESR2ESR1
SCHEMBL6137378 0.64
SCHEMBL2416850 0.61 ESR2 (0.66) ESR2ESR1
SCHEMBL7137052 0.58 HSD17B1 (0.40) ESR2ESR1
SCHEMBL2417031 0.57 ESR2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO disclosed