SCHEMBL3844923

SCHEMBL3844923

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.59
PPARG P37231 13/20 0.59
PPARD Q03181 8/20 0.48
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3848017 0.97 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842858 0.96 PPARA (0.57) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841451 0.93 PPARA (0.58) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842876 0.91 PPARA (0.56) PPARAPPARGPPARDMAPT
SCHEMBL3848274 0.91 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3285769 0.91 PPARA (0.61) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3843334 0.90 PPARA (0.60) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845626 0.89 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840765 0.89 PPARA (0.48) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3284150 0.89 PPARA (0.62) 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 2 patents. 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed