SCHEMBL6511701

SCHEMBL6511701

CCCCCCc1nn(CCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(CCCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.58
PPARG P37231 8/20 0.58
TLR7 Q9NYK1 6/20 0.39
PPARD Q03181 2/20 0.39
GRM2 Q14416 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 0.93 PPARA (0.67) PPARAPPARGTLR7PPARD
SCHEMBL6508370 0.93 PPARA (0.67) PPARAPPARGTLR7PPARD
SCHEMBL6513058 0.91 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6512166 0.91 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6511438 0.91 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6510721 0.89 PPARA (0.61) PPARAPPARGTLR7PPARD
SCHEMBL6512786 0.88 PPARA (0.64) PPARAPPARGTLR7PPARD
SCHEMBL6509731 0.88 PPARA (0.64) PPARAPPARGTLR7PPARD
SCHEMBL6533130 0.88 PPARA (0.64) PPARAPPARGTLR7PPARD
SCHEMBL6511817 0.87 PPARA (0.62) PPARAPPARGTLR7PPARD

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 4 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
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