SCHEMBL3840765

SCHEMBL3840765

CCCCCCCn1nc(NCCCCc2cccc(OC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 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
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDE P14735 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.98 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3845333 0.95 PPARA (0.46) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3844352 0.93 PPARA (0.48) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3842294 0.92 PPARA (0.41) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3848279 0.92 PPARA (0.47) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3848017 0.91 PPARA (0.61) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3841464 0.91 PPARA (0.48) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3847164 0.90 PPARA (0.40) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3840689 0.89 PPARA (0.47) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3845277 0.89 PPARA (0.45) PPARAPPARGPPARDCNR1CNR2

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