SCHEMBL3844005

SCHEMBL3844005

Cn1c(=O)c(OCCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.48
PPARG P37231 11/20 0.48
PPARD Q03181 8/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
KCNH2 Q12809 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3845254 0.97 PPARA (0.51) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3288138 0.90 PPARA (0.52) PPARAPPARGPPARDKCNH2
SCHEMBL3849389 0.90 PPARA (0.41) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845681 0.89 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842008 0.88 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845631 0.88 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3289589 0.87 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840968 0.87 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845479 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3846346 0.86 PPARA (0.54) 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-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP claimed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed