SCHEMBL6513058

SCHEMBL6513058

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.60
PPARG P37231 7/20 0.60
TLR7 Q9NYK1 8/20 0.40
PPARD Q03181 1/20 0.40
GRM2 Q14416 1/20 0.39

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
SCHEMBL6512166 1.00 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6511438 1.00 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6512175 0.95 PPARA (0.67) PPARAPPARGTLR7PPARD
SCHEMBL6508370 0.95 PPARA (0.67) PPARAPPARGTLR7PPARD
SCHEMBL6508882 0.92 PPARA (0.52) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6515700 0.92 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6511701 0.91 PPARA (0.58) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6509768 0.91 PPARA (0.51) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6509750 0.91 PPARA (0.57) PPARAPPARGTLR7PPARDGRM2
SCHEMBL3286634 0.91 PPARA (0.57) 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