SCHEMBL6582740

SCHEMBL6582740

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

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.82
PPARD Q03181 9/20 0.68
PPARG P37231 4/20 0.68
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL6586276 0.92 PPARA (0.74) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL5185069 0.91 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL6582462 0.90 PPARA (1.00) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6586288 0.84 PPARA (0.59) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6581261 0.84 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6584950 0.84 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL6582734 0.84 PPARA (0.60) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6584609 0.84 PPARA (0.70) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL6583647 0.83 PPARA (0.80) PPARAPPARDPPARG
SCHEMBL6106937 0.83 PPARA (0.57) PPARAPPARDPPARGALDH1A1

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