SCHEMBL6509750

SCHEMBL6509750

CCCCCOc1nn(CCCC(F)(F)F)c(=O)n(CCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.57
PPARG P37231 7/20 0.57
TLR7 Q9NYK1 7/20 0.39
PPARD Q03181 1/20 0.38
GRM2 Q14416 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3286634 1.00 PPARA (0.57) PPARAPPARGTLR7PPARDGRM2
SCHEMBL3286633 0.98 PPARA (0.56) PPARAPPARGTLR7PPARDGRM2
SCHEMBL3285323 0.98 PPARA (0.56) PPARAPPARGTLR7PPARDGRM2
SCHEMBL3285148 0.94 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6511450 0.93 PPARA (0.61) PPARAPPARGTLR7PPARD
SCHEMBL3286811 0.93 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL3844826 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3284481 0.91 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3287505 0.91 PPARA (0.55) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6513058 0.91 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2

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 1 patent. 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 disclosed