SCHEMBL31163844

SCHEMBL31163844

O[C@H]1[C@H](O)[C@@H](O)CN(CCC(F)(F)CCCOCc2csc(-c3ccc(F)cc3)n2)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 13/20 0.43
▸ GBA2 Q9HCG7 13/20 0.43
▸ GBA1 P04062 12/20 0.43
▸ SI P14410 2/20 0.42
▸ LMNA P02545 2/20 0.39
▸ NTMT1 Q9BV86 2/20 0.37
▸ LCT P09848 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL31163911 0.91 UGCG (0.37) UGCGGBA2GBA1SILCT
SCHEMBL31163908 0.90 UGCG (0.39) UGCGGBA2GBA1SILMNA
SCHEMBL31163903 0.88 UGCG (0.53) UGCGGBA2GBA1SILMNA
SCHEMBL31163825 0.88 UGCG (0.53) UGCGGBA2GBA1SILMNA
SCHEMBL31163902 0.85 UGCG (0.36) UGCGGBA2GBA1SILCT
SCHEMBL31163893 0.82 LMNA (0.41) UGCGGBA2GBA1LMNANTMT1
Hydrochloric Acid SCHEMBL31163778 0.80 UGCG (0.55) UGCGGBA2GBA1SILCT
SCHEMBL31163890 0.80 SHMT2 (0.43) UGCGGBA2GBA1SILCT
SCHEMBL31163682 0.79 GBA1 (0.39) UGCGGBA2GBA1LMNANTMT1
SCHEMBL31163846 0.78 UGCG (0.53) UGCGGBA2GBA1SILMNA

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
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