SCHEMBL6243768

SCHEMBL6243768

COc1cc(CCC(=O)O)ccc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.73
PPARA Q07869 12/20 0.73
PPARG P37231 9/20 0.73
FFAR1 O14842 5/20 0.61
MAPT P10636 1/20 0.59
FFAR2 O15552 1/20 0.55
FFAR4 Q5NUL3 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
SCHEMBL6241282 0.92 PPARD (0.61) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL6234121 0.85 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL5480585 0.83 PPARD (0.79) PPARDPPARAPPARGFFAR1
SCHEMBL6237998 0.82 PPARD (0.74) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL6238011 0.82 PPARD (0.74) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL6236846 0.81 PPARD (0.74) PPARDPPARAPPARGFFAR1FFAR2
SCHEMBL6242575 0.80 PPARD (0.74) PPARDPPARAPPARGFFAR1
SCHEMBL4677201 0.80 PPARD (0.59) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL6237277 0.80 PPARD (0.72) PPARDPPARAPPARGFFAR1
SCHEMBL14436385 0.79 PPARD (0.71) 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 5 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-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