SCHEMBL6509593

SCHEMBL6509593

CCOC(=O)C(C)(C)Oc1cccc(CCCn2nc(C3CCCC3)c(=O)n(CC3CCCCC3)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 5/20 0.49
PPARD Q03181 2/20 0.45
TLR7 Q9NYK1 7/20 0.38
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
GRM2 Q14416 1/20 0.34
FBP1 P09467 1/20 0.34

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
SCHEMBL6516974 0.93 PPARA (0.48) PPARAPPARGPPARDTLR7BCL9
SCHEMBL6531406 0.93 PPARA (0.48) PPARAPPARGPPARDTLR7BCL9
SCHEMBL6509723 0.91 PPARA (0.50) PPARAPPARGPPARDTLR7
SCHEMBL6513188 0.89 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6512124 0.89 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6508372 0.89 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6508874 0.88 PPARA (0.47) PPARAPPARGPPARDTLR7BCL9
SCHEMBL6511481 0.88 PPARA (0.47) PPARAPPARGPPARDTLR7BCL9
SCHEMBL6511929 0.88 PPARA (0.47) PPARAPPARGPPARDTLR7BCL9
SCHEMBL6515752 0.88 PPARA (0.47) PPARAPPARGPPARDTLR7BCL9

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