SCHEMBL6404775

SCHEMBL6404775

CCCc1c(OCCCN2C(=O)NC(C)C2=O)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.47
NR1H3 Q13133 14/20 0.47
PPARA Q07869 6/20 0.38
PPARD Q03181 6/20 0.38
PPARG P37231 4/20 0.38

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
SCHEMBL6413815 1.00 NR1H2 (0.47) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6412642 0.87 NR1H2 (0.46) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6405200 0.87 NR1H2 (0.46) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6407421 0.85 NR1H2 (0.45) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6404209 0.84 NR1H2 (0.44) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6405323 0.84 NR1H2 (0.55) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6099510 0.84 NR1H2 (0.67) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6099513 0.84 NR1H2 (0.67) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6405155 0.83 NR1H2 (0.52) NR1H2NR1H3PPARAPPARDPPARG
SCHEMBL6406343 0.83 NR1H2 (0.54) NR1H2NR1H3PPARAPPARDPPARG

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