SCHEMBL31163884

SCHEMBL31163884

CCCc1ccc(COCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 18/20 0.54
▸ GBA2 Q9HCG7 18/20 0.54
▸ GBA1 P04062 17/20 0.54
▸ GUSB P08236 2/20 0.52
▸ LCT P09848 2/20 0.52
▸ SI P14410 2/20 0.52
▸ MGAM O43451 1/20 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
SCHEMBL31163895 0.90 UGCG (0.56) UGCGGBA2GBA1GUSBLCT
SCHEMBL31163935 0.87 UGCG (0.48) UGCGGBA2GBA1GUSBLCT
SCHEMBL31163695 0.87 UGCG (0.68) UGCGGBA2GBA1LCTSI
SCHEMBL31163766 0.85 UGCG (0.55) UGCGGBA2GBA1LCTSI
SCHEMBL31163852 0.85 UGCG (0.68) UGCGGBA2GBA1LCTSI
SCHEMBL31163765 0.83 UGCG (0.40) UGCGGBA2GBA1GUSBLCT
SCHEMBL31163938 0.82 UGCG (0.73) UGCGGBA2GBA1LCTSI
SCHEMBL31163887 0.82 UGCG (0.72) UGCGGBA2GBA1LCTSI
SCHEMBL31163830 0.82 UGCG (0.73) UGCGGBA2GBA1LCTSI
SCHEMBL31163877 0.82 GUSB (0.44) UGCGGBA2GBA1GUSBLCT

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