SCHEMBL21553438

SCHEMBL21553438

CS(=O)(=O)N[C@H]1CNCC(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.46
FUCA1 P04066 4/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
GLB1 P16278 2/20 0.46
MAN1B1 Q9UKM7 1/20 0.39
PYGL P06737 1/20 0.36
GBA2 Q9HCG7 1/20 0.36

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
SCHEMBL16991786 1.00 GBA1 (0.46) GBA1FUCA1GLAGAAGLB1
SCHEMBL21553504 0.80
SCHEMBL13979527 0.77 APLNR (0.32) MAN1B1
SCHEMBL15521047 0.72 OGA (0.51) GBA1FUCA1GLAGAAGLB1
SCHEMBL15521093 0.72 OGA (0.51) GBA1FUCA1GLAGAAGLB1
SCHEMBL2434063 0.72 OGA (0.51) GBA1FUCA1GLAGAAGLB1
SCHEMBL2272527 0.72 OGA (0.51) GBA1FUCA1GLAGAAGLB1
SCHEMBL18648594 0.71 GBA1 (0.48) GBA1FUCA1GLAGAAGLB1
SCHEMBL3319435 0.69
SCHEMBL29034779 0.68 MAN1B1 (0.40) GBA1FUCA1GLAGAAGLB1

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-3105235-B1 SUGAR DERIVATIVES COMPRISING SULFUR-CONTAINING MOIETIES AND METHODS OF MAKING SAME AND METHODS OF USING THE SAME FOR THE TREATMENT OF MPS IIIC AMICUS THERAPEUTICS INC (US) 2019-11-06 EP disclosed