SCHEMBL6509798

SCHEMBL6509798

CCOC(=O)C(C)(C)Oc1cccc(CCCCn2nc(C3CCCC3)c(=O)n(CC(=O)c3ccccc3)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 6/20 0.48
TLR7 Q9NYK1 11/20 0.40
PPARD Q03181 2/20 0.38

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
SCHEMBL6512124 0.92 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6508372 0.92 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6513188 0.92 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6509723 0.90 PPARA (0.50) PPARAPPARGTLR7PPARD
SCHEMBL6508371 0.87 PPARA (0.46) PPARAPPARGTLR7PPARD
SCHEMBL6511929 0.86 PPARA (0.47) PPARAPPARGTLR7PPARD
SCHEMBL6515752 0.86 PPARA (0.47) PPARAPPARGTLR7PPARD
SCHEMBL6508401 0.86 PPARA (0.49) PPARAPPARGTLR7PPARD
SCHEMBL6517074 0.86 PPARA (0.50) PPARAPPARGTLR7PPARD
SCHEMBL6509593 0.85 PPARA (0.49) 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