SCHEMBL8773143

SCHEMBL8773143

CCCCCCCCCOc1cnc(-c2ccc(OCCCCC3CCCCC3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.47
RARB P10826 3/20 0.44
NFE2L2 Q16236 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
HPGD P15428 3/20 0.43
PTGES O14684 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR1B P28222 1/20 0.42
HTR2B P41595 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL8447353 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8450107 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8773203 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8773226 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8773144 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8773149 1.00 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7750340 0.99 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7745540 0.99 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7750408 0.99 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7750420 0.99 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606090-B1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KK (JP) 1997-10-29 EP disclosed
US-5589103-A Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1996-12-31 US disclosed
EP-0606090-A1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1994-07-13 EP disclosed