SCHEMBL7701744

SCHEMBL7701744

CCCCCCCCOCCCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CNR1 P21554 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
F2R P25116 1/20 0.34
MAOB P27338 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2464472 0.91 NPC1 (0.40) CNR2NPC1RAB9AF2RPOLB
SCHEMBL8773778 0.91 NPC1 (0.40) CNR2NPC1RAB9AF2RPOLB
SCHEMBL30485788 0.91 NPC1 (0.40) CNR2NPC1RAB9AF2RPOLB
SCHEMBL6834699 0.89 CNR2 (0.32) CNR2NPC1RAB9ACNR1
SCHEMBL2955109 0.89 NPC1 (0.42) NPC1RAB9AMAOBPOLBLMNA
SCHEMBL101432 0.89 CNR2 (0.39) CNR2CNR1MAOBMAOAKDM4E
SCHEMBL12774889 0.87 NPC1 (0.40) NPC1RAB9AMAOBPOLBLMNA
SCHEMBL1923121 0.86 NPC1 (0.40) NPC1RAB9AMAOBPOLBLMNA
SCHEMBL4594117 0.86 CYP3A4 (0.35) NPC1RAB9AMAOBPOLBLMNA
SCHEMBL23533531 0.85 CNR2 (0.41) CNR2CNR1MAOBLMNAMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177182-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS Ciba SC Holding AG (CH) 2002-02-06 EP disclosed
EP-1086145-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
WO-2000068218-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-11-16 WO disclosed
WO-1999062961-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-12-09 WO disclosed