SCHEMBL5081652

SCHEMBL5081652

CCCCCCCCCCCC(O)OC(C)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.32
CNR1 P21554 2/20 0.32
TLR8 Q9NR97 1/20 0.32
MAPK1 P28482 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 2/20 0.32
NFKB1 P19838 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PLA2G4B P0C869 1/20 0.32
POLB P06746 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PLK1 P53350 2/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14480246 0.87 PLA2G4B (0.39) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL30310082 0.87 PLA2G4B (0.39) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL30847778 0.87 PLA2G4B (0.39) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL14480155 0.87 PLA2G4B (0.39) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL537022 0.86 CNR2 (0.34) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL1552093 0.86 CNR2 (0.34) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL1552126 0.86 CNR2 (0.34) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL11960233 0.86 PLA2G4B (0.38) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL7709567 0.84 TLR8 (0.36) CNR2CNR1TLR8MAPK1NPC1
SCHEMBL5563221 0.83 CNR2 (0.32) CNR2CNR1TLR8MAPK1NPC1

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
US-20080249214-A1 Stabilization of Methylmethacrylate-Butadiene-Styrene Graft Copolymers Against Thermal Oxidation WEGMANN ALEX 2008-10-09 US disclosed