SCHEMBL31163907

SCHEMBL31163907

O[C@H]1[C@H](O)[C@@H](O)CN(CCCCCCOCc2csc(-c3ccc(F)cc3F)n2)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA2 Q9HCG7 20/20 0.45
▸ GBA1 P04062 19/20 0.45
▸ UGCG Q16739 18/20 0.45
▸ LCT P09848 7/20 0.45
▸ SI P14410 4/20 0.45
▸ MGAM O43451 3/20 0.45

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
SCHEMBL31163933 0.94 GBA2 (0.43) GBA2GBA1UGCGLCTSI
Hydrochloric Acid SCHEMBL31163880 0.89 GBA2 (0.52) GBA2GBA1UGCGLCTSI
Hydrochloric Acid SCHEMBL31163803 0.88 GBA2 (0.39) GBA2GBA1UGCGLCTSI
SCHEMBL31163838 0.88 GBA2 (0.41) GBA2GBA1UGCGLCTSI
SCHEMBL31163825 0.88 UGCG (0.53) GBA2GBA1UGCGLCTSI
SCHEMBL31163903 0.88 UGCG (0.53) GBA2GBA1UGCGLCTSI
SCHEMBL31163683 0.86 GBA2 (0.43) GBA2GBA1UGCGLCTSI
SCHEMBL31163920 0.86 GBA2 (0.43) GBA2GBA1UGCGLCTSI
SCHEMBL31163875 0.85 UGCG (0.45) GBA2GBA1UGCGLCTSI
SCHEMBL31163888 0.85 GBA2 (0.42) GBA2GBA1UGCGLCTSI

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