SCHEMBL6508401

SCHEMBL6508401

CCOC(=O)C(C)(C)Oc1cccc(CCCn2c(=O)c(C3CCCC3)nn(Cc3ccccc3)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.49
PPARG P37231 8/20 0.49
PPARD Q03181 4/20 0.45
TLR7 Q9NYK1 6/20 0.42
FAAH O00519 1/20 0.39

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
SCHEMBL6509723 0.95 PPARA (0.50) PPARAPPARGPPARDTLR7FAAH
SCHEMBL6508372 0.92 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6512124 0.92 PPARA (0.51) PPARAPPARGPPARDTLR7FAAH
SCHEMBL6513188 0.92 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6515752 0.90 PPARA (0.47) PPARAPPARGPPARDTLR7
SCHEMBL6531406 0.90 PPARA (0.48) PPARAPPARGPPARDTLR7
SCHEMBL6516974 0.90 PPARA (0.48) PPARAPPARGPPARDTLR7
SCHEMBL6508874 0.89 PPARA (0.47) PPARAPPARGPPARDTLR7
SCHEMBL6511481 0.89 PPARA (0.47) PPARAPPARGPPARDTLR7
SCHEMBL6511929 0.88 PPARA (0.47) PPARAPPARGPPARDTLR7

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