SCHEMBL8104548

SCHEMBL8104548

CCCCCCCCCCCCC(CCCCCCCCC)CCCOC(Oc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
ENPP2 Q13822 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 2/20 0.31
TLR8 Q9NR97 1/20 0.31
PTPN11 Q06124 1/20 0.31
PPARA Q07869 1/20 0.31
PLA2G4B P0C869 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL5081657 0.93 PLK1 (0.40) PLK1ENPP2CNR2PPARGPTPN11
SCHEMBL38879 0.91 PLK1 (0.39) PLK1ENPP2CNR2PPARGPTPN11
SCHEMBL16163718 0.90 CNR2 (0.36) PLK1ENPP2CNR2CNR1PPARG
SCHEMBL2382897 0.88 PLK1 (0.36) PLK1ENPP2CNR2PPARGPTPN11
SCHEMBL3801060 0.86 LMNA (0.34) CYP3A4
SCHEMBL8716297 0.85 NPC1 (0.30) NPC1
SCHEMBL7153091 0.84 CYP2C19 (0.40) CNR2CYP3A4CYP2C9CYP2C19PLA2G4B
SCHEMBL30575191 0.84 CNR1 (0.34) PLK1ENPP2CNR2CNR1CYP3A4
SCHEMBL4562628 0.83 PLK1 (0.36) PLK1ENPP2CNR2CNR1CYP3A4
SCHEMBL10253638 0.82 CNR1 (0.36) PLK1CNR2CNR1TLR8PTPN11

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-6020528-A Alkylphenylbisacylphosphine oxides and photoinitiator mixtures CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-01 US disclosed