SCHEMBL8540796

SCHEMBL8540796

CCCCCCc1ccc(-c2ncc(-c3ccc(CCCCC4CCCCC4)cc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SPHK1 Q9NYA1 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.38

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 0.92 RAB9A (0.41) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7751389 0.92 RAB9A (0.41) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8546717 0.87 HPGD (0.44) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8883086 0.85 RAB9A (0.54) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL7933637 0.85 RAB9A (0.54) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL8558566 0.83 CYP3A4 (0.40) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL8415817 0.81 RAB9A (0.50) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL8547318 0.81 THRB (0.41) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8884801 0.79 KDM4E (0.59) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL8545371 0.79 KDM4E (0.59) RAB9ANPC1KDM4EMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118178-A None JP disclosed
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
JP-H07118178-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, LIQUID CRYSTAL ELEMENT USING THE COMPOSITION, LIQUID CYRSTAL DEVICE, AND DISPLAYING METHOD USING THE DEVICE CANON INC 1995-05-09 JP 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