SCHEMBL6582634

SCHEMBL6582634

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2sc(-c3ccc(C(C)(C)C)cc3)nc2C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.73
PPARD Q03181 8/20 0.73
PPARG P37231 3/20 0.73
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 2/20 0.48

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
SCHEMBL6583647 0.96 PPARA (0.80) PPARAPPARDPPARG
SCHEMBL6580748 0.89 PPARA (0.91) PPARAPPARDPPARG
SCHEMBL6581261 0.89 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL5185069 0.88 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL7470194 0.87 PPARA (0.67) PPARAPPARDPPARG
SCHEMBL6582584 0.85 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6584950 0.84 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6582575 0.82 PPARA (0.63) PPARAPPARDPPARG
SCHEMBL6582178 0.82 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6582544 0.82 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-1244642-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001040207-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-06-07 WO disclosed