SCHEMBL6509971

SCHEMBL6509971

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.43
PPARG P37231 10/20 0.43
PPARD Q03181 5/20 0.43
BCL9 O00512 3/20 0.37
CTNNB1 P35222 3/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL6509972 1.00 PPARA (0.43) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6508843 0.87 PPARA (0.48) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6511627 0.86 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL6511631 0.86 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL6508851 0.84 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6508849 0.84 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6514556 0.84 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6514557 0.84 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6509479 0.83 PPARA (0.42) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6509723 0.81 PPARA (0.50) PPARAPPARGPPARD

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 disclosed