SCHEMBL8911558

SCHEMBL8911558

CCCCCCCCCCc1ccc2nc(-c3ccc(CCCCC)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.50
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
STAT3 P40763 1/20 0.49
ATM Q13315 1/20 0.49
SPNS2 Q8IVW8 2/20 0.46
PSMB5 P28074 1/20 0.46
DHODH Q02127 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7822732 0.92 NPC1 (0.61) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6289604 0.91 TLR8 (0.55) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6283828 0.90 NPC1 (0.59) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7823855 0.90 CASP3 (0.61) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6290855 0.89 TLR8 (0.54) TLR8PSMB5HSD17B10KDM4EALDH1A1
SCHEMBL8977263 0.89 TLR8 (0.42) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7825130 0.88 MAPT (0.53) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9618095 0.88 MAPT (0.53) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7831287 0.87 ESR1 (0.63) TLR8MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7824457 0.86 MAPT (0.53) TLR8MAPTRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5695684-A Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1997-12-09 US disclosed
EP-0678509-A2 Liquid crystal device, apparatus and display method using the composition CANON KABUSHIKI KAISHA (JP) 1995-10-25 EP disclosed