SCHEMBL3867966

SCHEMBL3867966

Cn1nc(NCCCCc2cccc(OC(C)(CC(C)(C)C)C(=O)O)c2)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.38
PPARG P37231 6/20 0.38
KCNH2 Q12809 3/20 0.36
PPARD Q03181 1/20 0.36
PCSK9 Q8NBP7 1/20 0.34
CYP2D6 P10635 2/20 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
KMT2A Q03164 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
SCHEMBL3844889 0.92 PPARA (0.42) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3287502 0.91 PPARA (0.48) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3840826 0.90 PPARA (0.44) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3841118 0.90 PPARA (0.40) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3844300 0.88 PPARA (0.47) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3842289 0.88 PPARG (0.39) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3844910 0.86 PPARA (0.41) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3842928 0.86 PPARA (0.42) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3843436 0.86 PPARA (0.46) PPARAPPARGKCNH2PPARDPCSK9
SCHEMBL3284607 0.85 PPARA (0.41) PPARAPPARGKCNH2PPARDPCSK9

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