SCHEMBL3844889

SCHEMBL3844889

CCCC(C)(Oc1cccc(CCCCNc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 1/20 0.39
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL3841118 0.98 PPARA (0.40) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3842289 0.95 PPARG (0.39) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3844910 0.94 PPARA (0.41) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3842928 0.93 PPARA (0.42) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3867966 0.92 PPARA (0.38) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3844859 0.92 PPARA (0.42) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3840771 0.91 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3845277 0.91 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3287502 0.91 PPARA (0.48) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3844487 0.90 PPARA (0.48) PPARAPPARGPPARDCYP2D6

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