SCHEMBL26219600

SCHEMBL26219600

O=NC1C(=O)[C@@H](O)CN(CCCCCOCc2ccc(C3=CC=CCC=C3)c(F)c2)[C@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 20/20 0.49
▸ GBA2 Q9HCG7 20/20 0.49
▸ GBA1 P04062 19/20 0.49
▸ LCT P09848 9/20 0.49
▸ SI P14410 6/20 0.49
▸ MGAM O43451 5/20 0.49

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
SCHEMBL26219417 0.95 GBA1 (0.45) UGCGGBA2GBA1LCTSI
SCHEMBL26219527 0.85 UGCG (0.68) UGCGGBA2GBA1LCTSI
SCHEMBL26219281 0.85 UGCG (0.68) UGCGGBA2GBA1LCTSI
SCHEMBL25962343 0.83 GBA1 (0.51) UGCGGBA2GBA1LCTSI
SCHEMBL26219247 0.80 UGCG (0.64) UGCGGBA2GBA1LCTSI
SCHEMBL26219187 0.75 UGCG (0.65) UGCGGBA2GBA1LCTSI
SCHEMBL25962193 0.75 UGCG (0.73) UGCGGBA2GBA1LCTSI
SCHEMBL26219887 0.75 GBA1 (0.43) UGCGGBA2GBA1LCTSI
SCHEMBL26022198 0.74 GBA1 (0.42) UGCGGBA2GBA1LCTSI
SCHEMBL26219481 0.74 UGCG (0.66) 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
EP-4209215-A1 TREATMENT OF GM2 GANGLIOSIDOSIS Azafaros B.V. (NL) 2023-07-12 — — EP disclosed
Send feedback