SCHEMBL6512591

SCHEMBL6512591

CCCCCCc1nn(CCCC(F)(F)F)c(=O)n(CCOc2ccc(OC(C)(C)C(=O)OCC)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.41
PPARG P37231 7/20 0.41
TSHR P16473 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARD Q03181 4/20 0.36
FBP1 P09467 1/20 0.34
P2RX3 P56373 2/20 0.34
SMPD1 P17405 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6509466 0.97 PPARA (0.41) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL6512176 0.92 PPARA (0.49) PPARAPPARGPPARDFBP1
SCHEMBL6512822 0.91 PPARA (0.45) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL6511690 0.91 PPARA (0.45) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL6509616 0.90 PPARA (0.49) PPARAPPARGPPARDFBP1
SCHEMBL6513058 0.85 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6511438 0.85 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6512166 0.85 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL3284481 0.84 PPARA (0.43) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL3286019 0.84 PPARA (0.38) PPARAPPARGTSHRABCB11CYP1A2

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