SCHEMBL3845124

SCHEMBL3845124

CCCCCCCn1nc(OCCCc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.52
PPARG P37231 15/20 0.52
PPARD Q03181 8/20 0.52

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
SCHEMBL3845411 0.97 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3842642 0.96 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3841197 0.91 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3285267 0.90 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3842005 0.90 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL3845681 0.89 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL3842859 0.88 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL3286669 0.88 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3844621 0.87 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL3847191 0.86 PPARG (0.42) PPARAPPARGPPARD

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