SCHEMBL8748478

SCHEMBL8748478

CCCOCCCCOc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
RARB P10826 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8748498 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7737535 0.90 NPC1 (0.56) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748382 0.88 NPC1 (0.62) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748576 0.87 NPC1 (0.60) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748345 0.85 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748960 0.85 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748612 0.85 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748674 0.84 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748544 0.84 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8748698 0.84 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754685-A2 Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings Rolic AG (CH) 1997-01-22 EP disclosed