SCHEMBL6235983

SCHEMBL6235983

COC(=O)COc1ccc(SCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.83
PPARA Q07869 9/20 0.83
PPARG P37231 4/20 0.83

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
SCHEMBL5515760 0.92 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL3819065 0.91 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL6237599 0.88 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL6265434 0.86 PPARD (0.71) PPARDPPARAPPARG
Gw501516 SCHEMBL21391885 0.86 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL6237881 0.82 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL5505916 0.82 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL4680724 0.81 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL6239544 0.80 PPARD (0.83) PPARDPPARAPPARG
SCHEMBL5509871 0.80 PPARD (0.83) PPARDPPARAPPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189895-B8 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP disclosed
US-6723740-B2 ADMINISTERING THERAPEUTIC AMOUNT OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA AGONIST TO LOWER TRIGLYCERIDES SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
US-6710063-B1 Activators of PPAR delta SMITHKLINE BEECHAM CORPORATION 2004-03-23 US disclosed
EP-1189895-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2002-03-27 EP disclosed
WO-2001000603-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2001-01-04 WO disclosed