SCHEMBL6584699

SCHEMBL6584699

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 1.00
PPARD Q03181 11/20 0.71
PPARG P37231 6/20 0.71
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL6581920 0.91 PPARA (0.83) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6580692 0.91 PPARA (0.83) PPARAPPARDPPARG
SCHEMBL4678926 0.85 PPARA (0.76) PPARAPPARDPPARG
SCHEMBL4738083 0.85 PPARA (0.77) PPARAPPARDPPARGNPC1ALDH1A1
Gw590735 SCHEMBL3673228 0.83 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6584609 0.82 PPARA (0.70) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL18645313 0.81 PPARA (0.83) PPARAPPARDPPARG
SCHEMBL6582462 0.81 PPARA (1.00) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4679328 0.81 PPARA (0.73) PPARAPPARDPPARG
SCHEMBL4677767 0.81 PPARA (0.72) PPARAPPARDPPARG

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-1244642-B1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-28 EP disclosed
US-6518290-B1 Compounds that activate or otherwise interact with one or more of the PPARs have been implicated in the regulation of triglyceride and cholesterol levels in animal models SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed