SCHEMBL6508370

SCHEMBL6508370

CCCCCCCn1c(=O)c(CCCCCC)nn(CCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.67
PPARG P37231 8/20 0.67
PPARD Q03181 2/20 0.43
TLR7 Q9NYK1 8/20 0.43
FBP1 P09467 1/20 0.37

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
SCHEMBL6512175 1.00 PPARA (0.67) PPARAPPARGPPARDTLR7FBP1
SCHEMBL6510721 0.95 PPARA (0.61) PPARAPPARGPPARDTLR7
SCHEMBL6513058 0.95 PPARA (0.60) PPARAPPARGPPARDTLR7
SCHEMBL6512166 0.95 PPARA (0.60) PPARAPPARGPPARDTLR7
SCHEMBL6511438 0.95 PPARA (0.60) PPARAPPARGPPARDTLR7
SCHEMBL6533130 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6509731 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6512786 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6514571 0.94 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6511817 0.94 PPARA (0.62) PPARAPPARGPPARDTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO claimed
EP-1292595-A1 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE HYDRIODIDE AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 2003-03-19 EP claimed
WO-2001094343-A1 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE HYDRIODIDE AS PHARMACEUTICAL SMITHKLINE BEECHAM P.L.C. (GB) 2001-12-13 WO claimed
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO disclosed
EP-1509249-A2 INCLUSION COMPLEXES OF ROSIGLITAZONE GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003099337-A2 INCLUSION COMPLEXES OF ROSIGLITAZONE GLAXO GROUP LIMITED (GB) 2003-12-04 WO disclosed
EP-1332142-A1 SODIUM SALTS OF 5-[4-[2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY]B ENZYL]THIAZOLIDINE-2,4-DIONE SmithKline Beecham p.l.c. (GB) 2003-08-06 EP disclosed
EP-1292595-A1 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE HYDRIODIDE AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 2003-03-19 EP disclosed
WO-2002026735-A1 SODIUM SALTS OF 5-'4-'2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY]BENZYL]THIAZOLIDINE-2,4-DIONE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-04 WO disclosed
WO-2001094343-A1 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE HYDRIODIDE AS PHARMACEUTICAL SMITHKLINE BEECHAM P.L.C. (GB) 2001-12-13 WO disclosed