SCHEMBL8548170

SCHEMBL8548170

CCCCCCCCCCc1ncc(-c2ccc(OCCCC3CCCCC3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 4/20 0.41
NFE2L2 Q16236 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7751355 0.84 RAB9A (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7751389 0.84 RAB9A (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7749992 0.80 CYP3A4 (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2HRH3
SCHEMBL8881686 0.80 CASP3 (0.52) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8882165 0.79 ALDH1A1 (0.43) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8540796 0.79 RAB9A (0.46) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8773207 0.78 RARB (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9349401 0.78 RAB9A (0.51) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8773109 0.78 RARB (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8446896 0.78 RARB (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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-0640677-B1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 1998-10-28 EP disclosed
US-5462694-A Improved high speed response CANON KABUSHIKI KAISHA (JP) 1995-10-31 US disclosed
EP-0640677-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed