SCHEMBL3848276

SCHEMBL3848276

CCCCCCCn1c(=O)c(NCCCCc2cccc(OC(C)(CCC)C(=O)O)c2)nn(CCC#N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 1/20 0.39
ADORA3 P0DMS8 3/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL3844352 0.94 PPARA (0.48) PPARAPPARGPPARDADORA3CNR1
SCHEMBL3844402 0.93 PPARA (0.38) PPARAPPARGPPARDCNR1LMNA
SCHEMBL3841977 0.92 PPARA (0.54) PPARAPPARGPPARDADORA3
SCHEMBL3841464 0.91 PPARA (0.48) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3844298 0.90 PPARA (0.51) PPARAPPARGPPARDADORA3CNR1
SCHEMBL3845277 0.90 PPARA (0.45) PPARAPPARGPPARDADORA3CNR1
SCHEMBL3840771 0.90 PPARA (0.45) PPARAPPARGPPARDADORA3CNR1
SCHEMBL3848279 0.89 PPARA (0.47) PPARAPPARGPPARDADORA3CNR1
SCHEMBL3841039 0.89 PPARA (0.39) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3844887 0.88 PPARA (0.52) PPARAPPARGPPARDADORA3LMNA

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed