SCHEMBL3842858

SCHEMBL3842858

CCCCCCCn1nc(NCCc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.57
PPARG P37231 12/20 0.57
PPARD Q03181 6/20 0.45
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3844923 0.96 PPARA (0.59) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848017 0.95 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845333 0.91 PPARA (0.46) PPARAPPARGPPARDCYP2D6LMNA
SCHEMBL3288346 0.91 PPARA (0.59) PPARAPPARGPPARDCYP2D6LMNA
SCHEMBL3843762 0.90 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL3840894 0.89 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841451 0.88 PPARA (0.58) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3843334 0.88 PPARA (0.60) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842503 0.88 PPARA (0.52) PPARAPPARGPPARDCYP2D6
SCHEMBL3844032 0.87 PPARA (0.58) PPARAPPARGPPARDCYP4F2CYP4A11

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 4 patents. 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed