SCHEMBL6512808

SCHEMBL6512808

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 2/20 0.42
TLR7 Q9NYK1 10/20 0.40
FAAH O00519 1/20 0.35

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
SCHEMBL6515771 0.92 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6511563 0.89 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6510857 0.89 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6509795 0.89 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6510004 0.89 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6512670 0.89 PPARA (0.62) PPARAPPARGPPARDTLR7
SCHEMBL6511113 0.87 PPARA (0.51) PPARAPPARGPPARDTLR7
SCHEMBL6516974 0.86 PPARA (0.48) PPARAPPARGPPARDTLR7
SCHEMBL6531406 0.86 PPARA (0.48) PPARAPPARGPPARDTLR7
SCHEMBL6519119 0.86 PPARA (0.52) 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 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