SCHEMBL6509795

SCHEMBL6509795

CCCCCCCn1nc(-c2ccccc2)c(=O)n(CCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.62
PPARG P37231 7/20 0.62
TLR7 Q9NYK1 6/20 0.44
PPARD Q03181 1/20 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
SCHEMBL6511563 1.00 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6510004 1.00 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6510857 1.00 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6512670 1.00 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6519119 0.93 PPARA (0.52) PPARAPPARGTLR7PPARD
SCHEMBL6509754 0.92 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6511113 0.92 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6511892 0.90 PPARA (0.52) PPARAPPARGTLR7PPARD
SCHEMBL6511817 0.89 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6516926 0.89 PPARA (0.62) 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