SCHEMBL31163897

SCHEMBL31163897

O[C@H]1[C@H](O)[C@@H](O)CN(CCCCCCOCc2ccc3ccccc3c2)C[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA2 Q9HCG7 20/20 0.74
▸ UGCG Q16739 18/20 0.74
▸ GBA1 P04062 18/20 0.74
▸ LCT P09848 8/20 0.53
▸ SI P14410 6/20 0.53
▸ MGAM O43451 4/20 0.53

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
SCHEMBL31163938 0.83 UGCG (0.73) GBA2UGCGGBA1LCTSI
SCHEMBL31163830 0.83 UGCG (0.73) GBA2UGCGGBA1LCTSI
SCHEMBL31163779 0.82 UGCG (0.75) GBA2UGCGGBA1LCTSI
SCHEMBL31163789 0.82 UGCG (0.75) GBA2UGCGGBA1LCTSI
SCHEMBL21841332 0.81 UGCG (0.70) GBA2UGCGGBA1LCTSI
SCHEMBL31163852 0.80 UGCG (0.68) GBA2UGCGGBA1LCTSI
SCHEMBL31163766 0.80 UGCG (0.55) GBA2UGCGGBA1LCTSI
SCHEMBL31163695 0.80 UGCG (0.68) GBA2UGCGGBA1LCTSI
SCHEMBL31163895 0.80 UGCG (0.56) GBA2UGCGGBA1LCTSI
SCHEMBL7391532 0.79 GBA1 (0.54) GBA2UGCGGBA1

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