SCHEMBL31163900

SCHEMBL31163900

O[C@H]1[C@H](O)[C@@H](O)CN(CC/C=C/CCOCc2csc(-c3ccc(F)c(F)c3)n2)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GBA1 P04062 9/20 0.35
▸ UGCG Q16739 9/20 0.35
▸ GBA2 Q9HCG7 9/20 0.35
▸ LCT P09848 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ ENPP2 Q13822 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL31163893 0.90 LMNA (0.41) GBA1UGCGGBA2LMNATP53
SCHEMBL31163849 0.88 SMN1; SMN2 (0.34) KDM4EGBA1UGCGGBA2SMN1; SMN2
SCHEMBL31163875 0.87 UGCG (0.45) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163840 0.86 GBA1 (0.31) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163908 0.83 UGCG (0.39) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163866 0.80 KDM4E (0.34) KDM4ENPC1RAB9AGBA1UGCG
Hydrochloric Acid SCHEMBL31163788 0.78 UGCG (0.42) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163772 0.78 GBA1 (0.42) KDM4EGBA1UGCGGBA2LCT
SCHEMBL31163888 0.77 GBA2 (0.42) GBA1UGCGGBA2LCTMGAM
SCHEMBL31163825 0.76 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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