SCHEMBL3841446

SCHEMBL3841446

CCCCCCCn1c(=O)c(OCCCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.51
PPARG P37231 13/20 0.51
PPARD Q03181 8/20 0.48

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
SCHEMBL3841403 0.93 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3284481 0.92 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3840282 0.91 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3844826 0.91 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3842008 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3846346 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3840865 0.88 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3845479 0.88 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845411 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845465 0.86 PPARA (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-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