SCHEMBL8029936

SCHEMBL8029936

CCCCCCC(O)COC(CC)Oc1ccc(-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 0.33
HTR1A P08908 3/20 0.32
LTB4R Q15722 1/20 0.32
CNR1 P21554 2/20 0.32
ENPP2 Q13822 1/20 0.32
TLR8 Q9NR97 1/20 0.31
PLA2G4B P0C869 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C8 P10632 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP2C19 P33261 2/20 0.31
PLK1 P53350 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH2 P05091 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL8030165 1.00 CNR2 (0.33) CNR2HTR1ALTB4RCNR1ENPP2
SCHEMBL8036063 1.00 CNR2 (0.33) CNR2HTR1ALTB4RCNR1ENPP2
SCHEMBL8033622 0.89 NPC1 (0.34) NPC1
SCHEMBL30847778 0.86 PLA2G4B (0.39) CNR2HTR1ACNR1TLR8PLA2G4B
SCHEMBL14480155 0.86 PLA2G4B (0.39) CNR2HTR1ACNR1TLR8PLA2G4B
SCHEMBL30310082 0.86 PLA2G4B (0.39) CNR2HTR1ACNR1TLR8PLA2G4B
SCHEMBL14480246 0.86 PLA2G4B (0.39) CNR2HTR1ACNR1TLR8PLA2G4B
SCHEMBL7744799 0.85 CNR2 (0.38) CNR2PLK1NPC1
SCHEMBL7744803 0.84 CNR2 (0.36) CNR2PLK1
SCHEMBL7709567 0.83 TLR8 (0.36) CNR2CNR1ENPP2TLR8PLK1

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-0982356-A2 Improved stabilized coatings Clariant Finance (BVI) Limited (VG) 2000-03-01 EP disclosed