SCHEMBL6510038

SCHEMBL6510038

CCCCCCc1nn(CCc2ccc(OC(C)(C)C(=O)OCC)cc2)c(=O)n(CCCc2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.51
PPARG P37231 13/20 0.51
PPARD Q03181 8/20 0.46

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
SCHEMBL6509482 0.97 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6511517 0.94 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6511766 0.92 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL6511690 0.89 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL6512822 0.89 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL6508381 0.86 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6512175 0.86 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6508370 0.86 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6511129 0.85 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6514571 0.85 PPARA (0.62) PPARAPPARGPPARD

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