SCHEMBL3840282

SCHEMBL3840282

CCCCCCCn1c(=O)c(OCc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.49
PPARG P37231 13/20 0.49
PPARD Q03181 9/20 0.44

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
SCHEMBL3849916 0.92 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3287354 0.91 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3841446 0.91 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3841939 0.88 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3841402 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3841197 0.86 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3845465 0.85 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL3842008 0.84 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3841403 0.84 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3844826 0.84 PPARA (0.55) 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 2 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