SCHEMBL31163772

SCHEMBL31163772

COc1cc(-c2nc(COCCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C3)cs2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 15/20 0.42
▸ UGCG Q16739 15/20 0.42
▸ GBA2 Q9HCG7 15/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LCT P09848 4/20 0.40
▸ MGAM O43451 2/20 0.40
▸ SI P14410 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL31163875 0.90 UGCG (0.45) GBA1UGCGGBA2LCTMGAM
Hydrochloric Acid SCHEMBL31163788 0.87 UGCG (0.42) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163796 0.85 UGCG (0.55) GBA1UGCGGBA2KDM4EALDH1A1
SCHEMBL31163825 0.85 UGCG (0.53) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163903 0.85 UGCG (0.53) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163888 0.84 GBA2 (0.42) GBA1UGCGGBA2LCTMGAM
Hydrochloric Acid SCHEMBL31163915 0.84 UGCG (0.51) GBA1UGCGGBA2KDM4ELCT
SCHEMBL31163933 0.83 GBA2 (0.43) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163920 0.83 GBA2 (0.43) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163846 0.83 UGCG (0.53) 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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