SCHEMBL17132933

SCHEMBL17132933

OC[C@@H]1[C@@H](O)C(O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1C(F)(F)F

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 19/20 1.00
LCT P09848 12/20 1.00
SI P14410 9/20 1.00
MGAM O43451 6/20 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
SCHEMBL17132966 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL19224239 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17132920 1.00 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL20862286 0.89 UGCG (0.80) UGCGGBA2GBA1LCTSI
SCHEMBL17132921 0.88 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17132918 0.88 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17132913 0.88 UGCG (1.00) UGCGGBA2GBA1LCTSI
SCHEMBL17132948 0.87 UGCG (0.81) UGCGGBA2GBA1LCTSI
SCHEMBL19224242 0.86 UGCG (0.79) UGCGGBA2GBA1LCTSI
SCHEMBL19224233 0.86 UGCG (0.79) 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