SCHEMBL6167313

SCHEMBL6167313

CCCc1c(OCCCN(C)C(=O)CC(C)(C)CC(=O)O)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.47
NR1H2 P55055 18/20 0.47
PPARD Q03181 11/20 0.47
PPARA Q07869 9/20 0.47
PPARG P37231 7/20 0.47

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
SCHEMBL6167330 0.86 NR1H3 (0.50) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6803289 0.85 NR1H3 (0.66) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6165165 0.82 NR1H3 (0.52) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5576817 0.79 NR1H3 (0.48) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5321047 0.78 NR1H3 (0.75) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5323897 0.77 NR1H3 (0.60) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5319347 0.77 NR1H3 (0.59) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5319506 0.77 NR1H3 (0.61) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6168914 0.76 NR1H3 (0.45) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5317915 0.76 NR1H3 (0.57) NR1H3NR1H2PPARDPPARAPPARG

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-1458694-A4 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO INC (US) 2005-12-14 EP claimed
EP-1458694-A2 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2003053352-A2 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2003-07-03 WO claimed