SCHEMBL6509479

SCHEMBL6509479

CC(C)(Oc1cccc(CCCn2nc(C3CCCC3)c(=O)n(CCNC(=O)C(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.42
PPARG P37231 8/20 0.42
PPARD Q03181 4/20 0.42
BCL9 O00512 7/20 0.37
CTNNB1 P35222 7/20 0.37
CHRNA7 P36544 1/20 0.36

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
SCHEMBL6520002 0.92 PPARA (0.45) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6508843 0.86 PPARA (0.48) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6509972 0.83 PPARA (0.43) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6509971 0.83 PPARA (0.43) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6508874 0.80 PPARA (0.47) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6511481 0.80 PPARA (0.47) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6509723 0.79 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6513188 0.79 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6508372 0.79 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6515752 0.78 PPARA (0.47) PPARAPPARGPPARDBCL9CTNNB1

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 1 patent. 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