SCHEMBL8555728

SCHEMBL8555728

CCCCCCCCC1Cc2ccc(-c3ncc(OCC(F)CCCCCC)cn3)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
S1PR3 Q99500 2/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 4/20 0.30
S1PR4 O95977 1/20 0.30

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
SCHEMBL8556347 0.93 NPC1 (0.34) CYP3A4CYP2C8S1PR3RAB9ANPC1
SCHEMBL8553157 0.85 RAB9A (0.42) CYP3A4CYP2C8S1PR3RAB9ANPC1
SCHEMBL8556698 0.85 RAB9A (0.36) CYP3A4CYP2C8S1PR3RAB9ANPC1
SCHEMBL8552026 0.81 RAB9A (0.43) CYP3A4CYP2C8S1PR3RAB9ANPC1
SCHEMBL7751452 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7751456 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7751408 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7751404 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7751442 0.79 NPC1 (0.43) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7748003 0.79 NPC1 (0.43) 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