SCHEMBL3843436

SCHEMBL3843436

Cn1nc(NCCc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.46
PPARG P37231 8/20 0.46
PPARD Q03181 4/20 0.42
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 2/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
PCSK9 Q8NBP7 1/20 0.37
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL3844300 0.96 PPARA (0.47) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3287502 0.95 PPARA (0.48) PPARAPPARGPPARDKCNH2CYP4F2
SCHEMBL3287490 0.90 PPARA (0.49) PPARAPPARGKCNH2CYP2D6
SCHEMBL3842289 0.90 PPARG (0.39) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3845816 0.89 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842503 0.89 PPARA (0.52) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3844032 0.89 PPARA (0.58) PPARAPPARGPPARDCYP2D6CYP4F2
SCHEMBL3840604 0.89 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3849871 0.88 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840894 0.87 PPARA (0.45) PPARAPPARGPPARDKCNH2CYP2D6

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