SCHEMBL6514557

SCHEMBL6514557

CCOC(=O)C=CCn1c(=O)c(C2CCCC2)nn(CCCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.49
PPARG P37231 6/20 0.49
TLR7 Q9NYK1 9/20 0.36
PPARD Q03181 2/20 0.36
FBP1 P09467 1/20 0.33

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
SCHEMBL6514556 1.00 PPARA (0.49) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6508851 0.99 PPARA (0.47) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6508849 0.99 PPARA (0.47) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6511631 0.97 PPARA (0.46) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6511627 0.97 PPARA (0.46) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6511691 0.94 PPARA (0.49) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6511687 0.94 PPARA (0.49) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6515783 0.92 PPARA (0.46) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6515780 0.92 PPARA (0.46) PPARAPPARGTLR7PPARDFBP1
SCHEMBL6512124 0.88 PPARA (0.51) PPARAPPARGTLR7PPARD

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