SCHEMBL6237599

SCHEMBL6237599

COC(=O)COc1ccc(SCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.82
PPARG P37231 6/20 0.82
PPARA Q07869 9/20 0.65
PTPN1 P18031 1/20 0.51
CETP P11597 1/20 0.43
VDR P11473 2/20 0.41
ESR1 P03372 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
RXRA P19793 1/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6238041 0.90 PPARD (1.00) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL6235983 0.88 PPARD (0.83) PPARDPPARGPPARA
SCHEMBL6237550 0.87 PPARD (0.81) PPARDPPARGPPARAPTPN1CETP
SCHEMBL6237881 0.87 PPARD (0.67) PPARDPPARGPPARAVDRESR1
SCHEMBL6239392 0.85 PPARD (0.68) PPARDPPARGPPARAPTPN1VDR
Gw501516 SCHEMBL21391885 0.83 PPARD (0.71) PPARDPPARGPPARAMAPTFFAR1
SCHEMBL6265434 0.83 PPARD (0.71) PPARDPPARGPPARAMAPTFFAR1
SCHEMBL6238448 0.81 PPARD (0.76) PPARDPPARGPPARAPTPN1TP53
SCHEMBL5515760 0.80 PPARD (0.82) PPARDPPARGPPARA
SCHEMBL6234716 0.79 PPARD (0.74) PPARDPPARGPPARAPTPN1VDR

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