SCHEMBL3844865

SCHEMBL3844865

CCCCCCCn1nc(OCCCc2cccc(OC(C)(CCC)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 1/20 0.39
GGPS1 O95749 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PLA2G4B P0C869 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
SCHEMBL3841481 0.98 PPARA (0.51) PPARAPPARGPPARDGGPS1CNR1
SCHEMBL3839949 0.97 PPARA (0.46) PPARAPPARGPPARDGGPS1CNR1
SCHEMBL3849389 0.92 PPARA (0.41) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3846291 0.92 PLA2G4B (0.40) PPARAPPARGGGPS1NPC1ALDH1A1
SCHEMBL3845631 0.91 PPARA (0.44) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3845248 0.91 PLA2G4B (0.40) PPARAPPARGGGPS1NPC1ALDH1A1
SCHEMBL3845681 0.91 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844621 0.90 PPARA (0.63) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3842005 0.90 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL3844620 0.89 PPARA (0.48) PPARAPPARGPPARDGGPS1CNR1

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