SCHEMBL6581920

SCHEMBL6581920

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.83
PPARD Q03181 10/20 0.59
PPARG P37231 6/20 0.59
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 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
SCHEMBL6584609 0.91 PPARA (0.70) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6584699 0.91 PPARA (1.00) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4682532 0.85 PPARA (0.61) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL5185069 0.83 PPARA (0.82) PPARAPPARDPPARG
SCHEMBL6580692 0.82 PPARA (0.83) PPARAPPARDPPARG
SCHEMBL6586288 0.82 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6582740 0.82 PPARA (0.82) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14445995 0.81 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL4681892 0.81 PPARD (0.61) PPARAPPARDPPARG
SCHEMBL4677786 0.81 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1

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-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