SCHEMBL3848274

SCHEMBL3848274

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 1/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
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
SCHEMBL3840765 0.98 PPARA (0.48) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3845333 0.96 PPARA (0.46) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3841464 0.93 PPARA (0.48) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3847164 0.92 PPARA (0.40) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3840689 0.92 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3844923 0.91 PPARA (0.59) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3844352 0.91 PPARA (0.48) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3842294 0.90 PPARA (0.41) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3841039 0.90 PPARA (0.39) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3848279 0.89 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT

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