SCHEMBL6515771

SCHEMBL6515771

CC(C)(Oc1cccc(CCCCn2c(=O)c(-c3ccccc3)nn(CCCC3CCCCC3)c2=O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.48
PPARG P37231 10/20 0.48
PPARD Q03181 5/20 0.48
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
NAAA Q02083 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
SCHEMBL6512808 0.92 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6511378 0.86 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6508843 0.83 PPARA (0.48) PPARAPPARGPPARDBCL9CTNNB1
SCHEMBL6512670 0.80 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6509795 0.80 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6510004 0.80 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6511563 0.80 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6510857 0.80 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6511113 0.78 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6531406 0.78 PPARA (0.48) 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