SCHEMBL3844859

SCHEMBL3844859

CCCC(C)(Oc1cccc(CCCNc2nn(CCCC(F)(F)F)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 2/20 0.42
KCNH2 Q12809 3/20 0.36
PCSK9 Q8NBP7 1/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3844910 0.98 PPARA (0.41) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3849215 0.97 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3842928 0.97 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3841458 0.95 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840771 0.95 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3845277 0.95 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3841118 0.94 PPARA (0.40) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3843706 0.93 PPARA (0.44) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840684 0.93 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3847164 0.93 PPARA (0.40) PPARAPPARGPPARDKCNH2PCSK9

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 1 patent. 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