SCHEMBL6514571

SCHEMBL6514571

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
PPARG P37231 9/20 0.62
PPARD Q03181 3/20 0.48
TLR7 Q9NYK1 5/20 0.44
ADORA3 P0DMS8 2/20 0.41

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
SCHEMBL6508381 0.98 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6509731 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6533130 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6512786 0.94 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6508370 0.94 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6512175 0.94 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6511129 0.93 PPARA (0.64) PPARAPPARGPPARDTLR7
SCHEMBL6511817 0.91 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6516926 0.91 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL3285837 0.90 PPARA (0.60) PPARAPPARGPPARDTLR7

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 2 patents. 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
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