SCHEMBL5147792

SCHEMBL5147792

CCCCCC(C)(C)Oc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 7/20 0.36
CNR2 P34972 7/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MPO P05164 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3412464 0.91 NPC1 (0.39) NPC1RAB9ALMNACNR1CNR2
SCHEMBL6930002 0.87 NPC1 (0.50) NPC1RAB9ALMNACNR1CNR2
SCHEMBL6924415 0.84 NPC1 (0.34) NPC1RAB9ALMNA
SCHEMBL5147799 0.83 NPC1 (0.52) NPC1RAB9ALMNAKDM4EHTT
SCHEMBL123853 0.82 NPC1 (0.51) NPC1RAB9ALMNACNR1CNR2
SCHEMBL9408814 0.81 NPC1 (0.56) NPC1RAB9ALMNAKDM4EHTT
SCHEMBL29768249 0.81 NPC1 (0.56) NPC1RAB9ALMNAKDM4EHTT
SCHEMBL2464346 0.81 CNR1 (0.52) NPC1RAB9ALMNACNR1CNR2
SCHEMBL831880 0.81 NPC1 (0.52) NPC1RAB9ALMNACNR2KDM4E
SCHEMBL4749816 0.78 NPC1 (0.34) NPC1RAB9ACNR1CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641030-B1 Photoelectric conversion device and photoelectric conversion module each having a protective member comprised of fluorine-containing polymer resin CANON KK (JP) 2007-01-03 EP disclosed
EP-0913267-B1 THERMAL RECORDING MATERIAL AND NOVEL CRYSTAL OF BISPHENOL S DERIVATIVE NIPPON KAYAKU KK (JP) 2004-01-21 EP disclosed
US-6114282-A CRYSTALS OF 3,3'-DIALLYL-4,4'-DIHYDROXYDIPHENYL SULFONEDEVELOPER NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-09-05 US disclosed
EP-0913267-A1 THERMAL RECORDING MATERIAL AND NOVEL CRYSTAL OF BISPHENOL S DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 1999-05-06 EP disclosed
US-5530264-A CONTAINING A TRANSPARENT, CROSSLINKED FLUOROPOLYMER CANON KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0641030-A2 Photoelectric conversion device and photoelectric conversion module each having a protective member comprised of fluorine-containing polymer resin CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed