SCHEMBL3840968

SCHEMBL3840968

Cn1nc(OCCCc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.48
PPARG P37231 12/20 0.48
PPARD Q03181 5/20 0.44
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
KCNH2 Q12809 3/20 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
SCHEMBL3841911 0.97 PPARA (0.52) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840870 0.97 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3287476 0.90 PPARA (0.52) PPARAPPARGPPARDKCNH2
SCHEMBL3869431 0.90 PPARA (0.41) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842008 0.89 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842224 0.89 PPARA (0.62) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845812 0.88 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3846346 0.87 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844005 0.87 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3287505 0.87 PPARA (0.55) 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 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