SCHEMBL17133002

SCHEMBL17133002

C[C@@H](OCCCCCN1C[C@H](O)C(O)[C@H](O)[C@@H]1CO)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 20/20 1.00
GBA2 Q9HCG7 20/20 1.00
GBA1 P04062 18/20 1.00
LCT P09848 12/20 1.00
SI P14410 10/20 1.00
MGAM O43451 7/20 1.00

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
SCHEMBL17132990 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17132989 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL19224267 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL19224246 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17133010 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL19224247 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL19224266 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL20862312 0.85 UGCG (0.74) UGCGGBA2GBA1LCTSI
SCHEMBL20862333 0.85 UGCG (0.74) UGCGGBA2GBA1LCTSI
SCHEMBL17132923 0.80 UGCG (1.00) UGCGGBA2GBA1LCTSI

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
WO-2015147639-A1 N-(5-((ARYL OR HETEROARYL)METHYLOXY)PENTYL)-SUBSTITUTED IMINOSUGARS AS INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE ACADEMISCH MEDISCH CENTRUM (NL) 2015-10-01 WO disclosed