SCHEMBL3844910

SCHEMBL3844910

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 2/20 0.41
KCNH2 Q12809 3/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CYP2D6 P10635 3/20 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
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDE P14735 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 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
SCHEMBL3842928 0.99 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3844859 0.98 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840771 0.97 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3845277 0.97 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3840684 0.96 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3849215 0.95 PPARA (0.45) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3844889 0.94 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3844402 0.94 PPARA (0.38) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3841458 0.93 PPARA (0.42) PPARAPPARGPPARDKCNH2PCSK9
SCHEMBL3842294 0.93 PPARA (0.41) 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