SCHEMBL6405513

SCHEMBL6405513

CCCc1c(OCCCN2C(=O)SC(C)(C)C2=O)ccc2c(CC(C)(C)C)onc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.44
NR1H3 Q13133 9/20 0.44
GRM2 Q14416 1/20 0.35
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
PPARD Q03181 5/20 0.33

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
SCHEMBL6098717 0.84 NR1H2 (0.52) NR1H2NR1H3GRM2PPARGPPARA
SCHEMBL6404754 0.84 NR1H2 (0.48) NR1H2NR1H3GRM2PPARGPPARA
SCHEMBL6405846 0.83 NR1H2 (0.64) NR1H2NR1H3GRM2PPARGPPARA
SCHEMBL6411684 0.82 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL6408328 0.81 NR1H2 (0.46) NR1H2NR1H3GRM2PPARGPPARA
SCHEMBL6407458 0.77 NR1H2 (0.41) NR1H2NR1H3GRM2PPARGPPARA
SCHEMBL6405163 0.70 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL6405198 0.70 NR1H2 (0.51) NR1H2NR1H3PPARGPPARAPPARD
SCHEMBL6405354 0.68 NR1H2 (0.72) NR1H2NR1H3PPARGPPARAPPARD
SCHEMBL6405323 0.68 NR1H2 (0.55) NR1H2NR1H3PPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 WO disclosed