SCHEMBL6512799

SCHEMBL6512799

CCCCCCCn1c(=O)c(Br)nn(CCCc2ccc(OC(C)(C)C(=O)OCC)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.47
PPARG P37231 12/20 0.47
PPARD Q03181 8/20 0.46
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 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
SCHEMBL6517086 0.90 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6531098 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6511476 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6511449 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6512234 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL3285097 0.84 PPARA (0.46) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL6511690 0.83 PPARA (0.45) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL6512822 0.83 PPARA (0.45) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL6510038 0.83 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6509482 0.83 PPARA (0.51) 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 2 patents. 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
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