SCHEMBL3845333

SCHEMBL3845333

CCCCCCCn1nc(NCCc2cccc(OC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 6/20 0.46
CYP2D6 P10635 3/20 0.38
PPARD Q03181 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
GRM2 Q14416 1/20 0.34

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
SCHEMBL3848274 0.96 PPARA (0.47) PPARAPPARGCYP2D6PPARDLMNA
SCHEMBL3840765 0.95 PPARA (0.48) PPARAPPARGCYP2D6PPARDLMNA
SCHEMBL3842107 0.92 PPARG (0.38) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3842858 0.91 PPARA (0.57) PPARAPPARGCYP2D6PPARDLMNA
SCHEMBL3841221 0.90 PPARA (0.41) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3841464 0.89 PPARA (0.48) PPARAPPARGCYP2D6PPARDLMNA
SCHEMBL3843706 0.89 PPARA (0.44) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3844352 0.88 PPARA (0.48) PPARAPPARGCYP2D6PPARDLMNA
SCHEMBL3847164 0.88 PPARA (0.40) PPARAPPARGCYP2D6PPARDCSNK2A2
SCHEMBL3841989 0.88 PPARA (0.46) PPARAPPARGCYP2D6PPARDCSNK2A2

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