SCHEMBL31163934

SCHEMBL31163934

O[C@H]1[C@H](O)[C@@H](O)CN(CCCCCCOCc2cccc(C3CCCCC3)c2)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 20/20 0.52
▸ GBA2 Q9HCG7 20/20 0.52
▸ GBA1 P04062 19/20 0.52
▸ LCT P09848 8/20 0.52
▸ SI P14410 6/20 0.52
▸ MGAM O43451 4/20 0.52

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
SCHEMBL31163836 0.86 UGCG (0.51) UGCGGBA2GBA1LCTSI
SCHEMBL31163779 0.81 UGCG (0.75) UGCGGBA2GBA1LCTSI
SCHEMBL31163789 0.81 UGCG (0.75) UGCGGBA2GBA1LCTSI
SCHEMBL31163807 0.78 GBA2 (0.50) UGCGGBA2GBA1LCTSI
SCHEMBL31163897 0.77 GBA2 (0.74) UGCGGBA2GBA1LCTSI
SCHEMBL31163830 0.75 UGCG (0.73) UGCGGBA2GBA1LCTSI
SCHEMBL31163938 0.75 UGCG (0.73) UGCGGBA2GBA1LCTSI
SCHEMBL29284781 0.74 UGCG (0.61) UGCGGBA2GBA1LCTSI
SCHEMBL31163766 0.74 UGCG (0.55) UGCGGBA2GBA1LCTSI
SCHEMBL31163895 0.74 UGCG (0.56) 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-2024179491-A1 GBA1 AND GCS DUAL MODULATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-06 — — WO disclosed
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