SCHEMBL6509616

SCHEMBL6509616

CCCCCCc1nn(CCOc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 6/20 0.49
GRM2 Q14416 1/20 0.36
FBP1 P09467 1/20 0.36
TLR7 Q9NYK1 4/20 0.35
PPARD Q03181 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
ADORA2A P29274 1/20 0.34
TRPC5 Q9UL62 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6512176 0.98 PPARA (0.49) PPARAPPARGGRM2FBP1TLR7
SCHEMBL6509466 0.93 PPARA (0.41) PPARAPPARGFBP1PPARD
SCHEMBL6511438 0.90 PPARA (0.60) PPARAPPARGGRM2TLR7PPARD
SCHEMBL6512166 0.90 PPARA (0.60) PPARAPPARGGRM2TLR7PPARD
SCHEMBL6513058 0.90 PPARA (0.60) PPARAPPARGGRM2TLR7PPARD
SCHEMBL6512591 0.90 PPARA (0.41) PPARAPPARGFBP1PPARD
SCHEMBL6512822 0.85 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL6511690 0.85 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3284217 0.85 PPARA (0.40) PPARAPPARGGRM2FBP1TLR7
SCHEMBL6512175 0.84 PPARA (0.67) PPARAPPARGFBP1TLR7PPARD

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 claimed