SCHEMBL6512786

SCHEMBL6512786

CCCCCCc1nn(CCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.64
PPARG P37231 9/20 0.64
PPARD Q03181 2/20 0.45
TLR7 Q9NYK1 5/20 0.43
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6533130 1.00 PPARA (0.64) PPARAPPARGPPARDTLR7AGTR1
SCHEMBL6509731 1.00 PPARA (0.64) PPARAPPARGPPARDTLR7AGTR1
SCHEMBL6511129 0.98 PPARA (0.64) PPARAPPARGPPARDTLR7ALDH1A1
SCHEMBL6514571 0.94 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6512175 0.94 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6508370 0.94 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6508381 0.93 PPARA (0.62) PPARAPPARGPPARDTLR7ALDH1A1
SCHEMBL6511817 0.91 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6516926 0.91 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6510721 0.90 PPARA (0.61) PPARAPPARGPPARDTLR7AGTR1

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