SCHEMBL6263799

SCHEMBL6263799

COC(=O)COc1cccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.59
FFAR1 O14842 5/20 0.58
PPARA Q07869 13/20 0.57
PPARG P37231 10/20 0.57

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
SCHEMBL6237810 0.84 PPARD (0.83) PPARDFFAR1PPARAPPARG
SCHEMBL6497059 0.81 PPARD (0.50) PPARDFFAR1PPARAPPARG
SCHEMBL6500781 0.81 PPARD (0.51) PPARDFFAR1PPARAPPARG
SCHEMBL6495846 0.81 FFAR1 (0.48) PPARDFFAR1PPARAPPARG
SCHEMBL6495570 0.81 PPARD (0.51) PPARDFFAR1PPARAPPARG
SCHEMBL6236710 0.79 PPARD (0.81) PPARDFFAR1PPARAPPARG
SCHEMBL6240042 0.79 PPARD (0.59) PPARDFFAR1PPARAPPARG
SCHEMBL27621737 0.78 PPARD (0.69) PPARDFFAR1PPARAPPARG
SCHEMBL4860828 0.78 FFAR1 (0.65) PPARDFFAR1PPARAPPARG
SCHEMBL6241282 0.78 PPARD (0.61) PPARDFFAR1PPARAPPARG

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 3 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-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