SCHEMBL6508843

SCHEMBL6508843

CC(C)(Oc1cccc(CCCCn2nc(C3CCCC3)c(=O)n(CCCCc3ccccc3)c2=O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.48
PPARG P37231 11/20 0.48
PPARD Q03181 7/20 0.48
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
BCL9 O00512 3/20 0.40
CTNNB1 P35222 3/20 0.40

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
SCHEMBL6513188 0.91 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6508372 0.91 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6509971 0.87 PPARA (0.43) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6509972 0.87 PPARA (0.43) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6512124 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6509479 0.86 PPARA (0.42) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6509723 0.84 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6509798 0.84 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6517074 0.84 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6508401 0.83 PPARA (0.49) 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