SCHEMBL8556698

SCHEMBL8556698

CCCCCCCCC1Cc2ccc(-c3ncc(OCC)cn3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C8 P10632 2/20 0.35
S1PR3 Q99500 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RARB P10826 1/20 0.33

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
SCHEMBL8553157 0.93 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8552026 0.88 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8558587 0.86 FYN (0.36) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8542748 0.85 FYN (0.40) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8551722 0.85 FYN (0.40) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8553224 0.85 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8541302 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8555728 0.85 CYP3A4 (0.32) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8552162 0.84 RARB (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8552427 0.84 RARB (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed