SCHEMBL3842008

SCHEMBL3842008

CCCCCCCn1c(=O)c(OCCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.54
PPARG P37231 13/20 0.54
PPARD Q03181 7/20 0.47
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 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
SCHEMBL3844826 0.98 PPARA (0.55) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3846346 0.95 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848673 0.93 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3285323 0.92 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3843403 0.91 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840790 0.91 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3286634 0.90 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6509750 0.90 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL3843661 0.90 PPARA (0.60) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6515700 0.89 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-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