SCHEMBL31163940

SCHEMBL31163940

O[C@H]1[C@H](O)[C@@H](O)CN(CC/C=C/CCOCc2ccc(-c3ccccc3)cc2)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 20/20 0.55
▸ GBA2 Q9HCG7 20/20 0.55
▸ GBA1 P04062 18/20 0.55
▸ SI P14410 6/20 0.55
▸ LCT P09848 6/20 0.55
▸ MGAM O43451 3/20 0.55

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
SCHEMBL31163765 0.83 UGCG (0.40) UGCGGBA2GBA1SILCT
SCHEMBL31163830 0.83 UGCG (0.73) UGCGGBA2GBA1SILCT
SCHEMBL31163938 0.83 UGCG (0.73) UGCGGBA2GBA1SILCT
SCHEMBL21841332 0.81 UGCG (0.70) UGCGGBA2GBA1SILCT
SCHEMBL31163833 0.75 IDO1 (0.49) UGCGGBA2GBA1SILCT
SCHEMBL31163893 0.73 LMNA (0.41) UGCGGBA2GBA1
SCHEMBL31163887 0.73 UGCG (0.72) UGCGGBA2GBA1SILCT
SCHEMBL31163789 0.73 UGCG (0.75) UGCGGBA2GBA1SILCT
SCHEMBL31163779 0.73 UGCG (0.75) UGCGGBA2GBA1SILCT
SCHEMBL31163828 0.73 UGCG (0.76) UGCGGBA2GBA1SILCT

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-2024179491-A1 GBA1 AND GCS DUAL MODULATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-06 — — WO disclosed
Send feedback