SCHEMBL18922669

SCHEMBL18922669

O=C(CCc1ccccc1)N1CC[C@@H](O)[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FKBP1A P62942 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ GRIN2B Q13224 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HCRTR2 O43614 1/20 0.43

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
SCHEMBL3023312 0.80 GAA (0.53) GBA1POLBNPC1TDP1HPGD
SCHEMBL15595060 0.79 C3AR1 (0.45) GBA1GRIN2B
SCHEMBL15185034 0.78 SMN1; SMN2 (0.53) GBA1NPC1SMN1; SMN2MEN1RAB9A
SCHEMBL9545617 0.78 SMN1; SMN2 (0.53) GBA1NPC1SMN1; SMN2MEN1RAB9A
SCHEMBL27838457 0.78 SMN1; SMN2 (0.53) GBA1NPC1SMN1; SMN2MEN1RAB9A
SCHEMBL10509156 0.76 NPC1 (0.61) POLBNPC1TDP1HPGDSMN1; SMN2
SCHEMBL10509164 0.76 NPC1 (0.61) POLBNPC1TDP1HPGDSMN1; SMN2
SCHEMBL2135825 0.75 POLB (0.55) POLBNPC1TDP1TSHRHPGD
SCHEMBL15372290 0.74 GBA1 (0.44) GBA1GAACHRNB2CHRNA3CHRNA4
SCHEMBL18922681 0.74 GBA1 (0.44) GBA1GAACHRNB2CHRNA3CHRNA4

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
US-9670195-B2 Glycosidase inhibitors and uses thereof ALECTOS THERAPEUTICS INC. (CA) 2017-06-06 — — US disclosed
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