SCHEMBL3843706

SCHEMBL3843706

CCCCCCCn1c(=O)c(NCCc2cccc(OC(C)(CCC)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 1/20 0.37
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 4/20 0.34
PCSK9 Q8NBP7 1/20 0.34
ADORA3 P0DMS8 2/20 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
SCHEMBL3849215 0.96 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840771 0.96 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3845277 0.96 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3842928 0.93 PPARA (0.42) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3844859 0.93 PPARA (0.42) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3842503 0.93 PPARA (0.52) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3844910 0.93 PPARA (0.41) PPARAPPARGPPARDKCNH2CYP2D6
SCHEMBL3841464 0.92 PPARA (0.48) PPARAPPARGPPARDCYP2D6ADORA3
SCHEMBL3844352 0.91 PPARA (0.48) PPARAPPARGPPARDCYP2D6ADORA3
SCHEMBL3851244 0.91 PPARA (0.43) 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 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