SCHEMBL6406097

SCHEMBL6406097

CCCc1c(OCCCN2CCCCC2=O)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.47
NR1H3 Q13133 15/20 0.47
PPARD Q03181 9/20 0.40
PPARA Q07869 9/20 0.40
PPARG P37231 7/20 0.40
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL6405614 0.99 NR1H2 (0.47) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6405584 0.88 NR1H2 (0.54) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6405323 0.86 NR1H2 (0.55) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6407458 0.85 NR1H2 (0.41) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6404776 0.85 NR1H2 (0.46) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6099203 0.84 NR1H3 (0.67) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6102250 0.83 NR1H3 (0.66) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6406343 0.83 NR1H2 (0.54) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6405271 0.82 NR1H2 (0.46) NR1H2NR1H3PPARDPPARAPPARG
SCHEMBL6405155 0.81 NR1H2 (0.52) NR1H2NR1H3PPARDPPARAPPARG

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