SCHEMBL31163805

SCHEMBL31163805

O[C@H]1[C@H](O)[C@@H](O)CN(CCCCC(F)COCc2csc(-c3cc(F)c(F)c(F)c3)n2)C[C@@H]1O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.31
▸ UGCG Q16739 3/20 0.31
▸ GBA2 Q9HCG7 3/20 0.31
▸ LCT P09848 2/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 1/20 0.31
▸ GUSB P08236 2/20 0.30

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
SCHEMBL31163848 0.92 SMN1; SMN2 (0.33) GBA1UGCGGBA2GUSB
SCHEMBL31163866 0.91 KDM4E (0.34) GBA1UGCGGBA2LCTMGAM
Hydrochloric Acid SCHEMBL31163776 0.91 SMN1; SMN2 (0.33) GBA1UGCGGBA2GUSB
Hydrochloric Acid SCHEMBL31163791 0.91 SMN1; SMN2 (0.33) GBA1UGCGGBA2GUSB
SCHEMBL31163682 0.88 GBA1 (0.39) GBA1UGCGGBA2
SCHEMBL31163694 0.88 GBA1 (0.39) GBA1UGCGGBA2
SCHEMBL31163856 0.88 SMN1; SMN2 (0.31) —
SCHEMBL31163888 0.87 GBA2 (0.42) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163882 0.86 GBA1 (0.30) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163797 0.81 GBA1 (0.38) GBA1UGCGGBA2LCTMGAM

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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