SCHEMBL10697228

SCHEMBL10697228

CCCc1ccc(CCC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.55
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.43
DAO P14920 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CEL P19835 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL16191263 0.88 MAOB (0.44) MAOBMAOACYP1A2BCHEDAO
SCHEMBL8451186 0.87 CYP1A2 (0.53) MAOBMAOACYP1A2BCHECEL
SCHEMBL8435362 0.87 CYP1A2 (0.53) CYP1A2BCHENPC1RAB9A
SCHEMBL11058086 0.86 MAOB (0.57) MAOBMAOAMEN1KMT2ALPL
SCHEMBL11058080 0.86 MAOB (0.57) MAOBMAOAMEN1KMT2ALPL
SCHEMBL3836345 0.85 BCHE (0.45) MAOBMAOACYP1A2BCHEDAO
SCHEMBL10749942 0.85 CYP1A2 (0.52) CYP1A2BCHENPC1RAB9A
SCHEMBL16191644 0.84 MAOB (0.55) MAOBMAOACYP1A2DAOMEN1
SCHEMBL4559159 0.83 DRD2 (0.44) MAOBMAOACYP1A2BCHE
SCHEMBL11062001 0.82 MAOB (0.54) MAOBMAOACYP1A2KMT2ANOS1

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
JP-61000291-A None JP disclosed
EP-0276067-A1 Novel tolan type liquid crystal compound Chisso Corporation (JP) 1988-07-27 EP disclosed
JP-S61291-A LIQUID CRYSTAL COMPOSITION CANON INC 1986-01-06 JP disclosed