SCHEMBL6515700

SCHEMBL6515700

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.58
PPARG P37231 13/20 0.58
PPARD Q03181 7/20 0.48
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL6511438 0.92 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6512166 0.92 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6513058 0.92 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6528547 0.91 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844826 0.90 PPARA (0.55) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842008 0.89 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841453 0.89 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3286740 0.89 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6514551 0.89 PPARA (0.62) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842820 0.88 PPARA (0.53) PPARAPPARGPPARDCYP4F2CYP4A11

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