SCHEMBL3841464

SCHEMBL3841464

CCCCCCCn1nc(NCCCc2cccc(OC(C)(CCC)C(=O)O)c2)c(=O)n(CCCCCCC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 1/20 0.42
ADORA3 P0DMS8 3/20 0.37
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
TLR7 Q9NYK1 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3844352 0.98 PPARA (0.48) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3849215 0.96 PPARA (0.45) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3840689 0.95 PPARA (0.47) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3844887 0.95 PPARA (0.52) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3844487 0.94 PPARA (0.48) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3845277 0.94 PPARA (0.45) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3840771 0.94 PPARA (0.45) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3848279 0.93 PPARA (0.47) PPARAPPARGPPARDADORA3LMNA
SCHEMBL3848274 0.93 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3844298 0.93 PPARA (0.51) PPARAPPARGPPARDADORA3LMNA

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