SCHEMBL3844320

SCHEMBL3844320

CC(C)(Oc1ccc(OCCNc2nn(CCCC(F)(F)F)c(=O)n(CCCC(F)(F)F)c2=O)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.40
PPARG P37231 11/20 0.39
PPARD Q03181 7/20 0.39

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
SCHEMBL3844532 0.94 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3844301 0.91 PPARG (0.39) PPARAPPARGPPARD
SCHEMBL3848287 0.90 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3841459 0.90 PKM (0.34) PPARAPPARGPPARD
SCHEMBL3287514 0.90 PPARA (0.38) PPARAPPARGPPARD
SCHEMBL3841493 0.89 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3845465 0.85 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL3849934 0.85 PPARG (0.38) PPARAPPARG
SCHEMBL3849260 0.85 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845317 0.85 PPARA (0.49) 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