SCHEMBL6511449

SCHEMBL6511449

CCCCCCCn1nc(Br)c(=O)n(CCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.66
PPARG P37231 8/20 0.66
PPARD Q03181 2/20 0.42
TLR7 Q9NYK1 9/20 0.42

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
SCHEMBL6531098 1.00 PPARA (0.66) PPARAPPARGPPARDTLR7
SCHEMBL6512234 1.00 PPARA (0.66) PPARAPPARGPPARDTLR7
SCHEMBL6511476 1.00 PPARA (0.66) PPARAPPARGPPARDTLR7
SCHEMBL6517086 0.98 PPARA (0.63) PPARAPPARGPPARDTLR7
SCHEMBL6508370 0.91 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6512175 0.91 PPARA (0.67) PPARAPPARGPPARDTLR7
SCHEMBL6512799 0.88 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6512670 0.88 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6516926 0.88 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL3285148 0.88 PPARA (0.62) 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