SCHEMBL25962145

SCHEMBL25962145

C=C/C=C(\C=C)c1ccc(COCCCCCN2CC(N=O)C(=O)[C@H](O)[C@@H]2CO)cc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 20/20 0.44
▸ GBA2 Q9HCG7 20/20 0.44
▸ GBA1 P04062 19/20 0.44
▸ LCT P09848 8/20 0.44
▸ SI P14410 6/20 0.44
▸ MGAM O43451 4/20 0.44

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
SCHEMBL25962370 1.00 UGCG (0.44) UGCGGBA2GBA1LCTSI
SCHEMBL25962172 0.93 GBA1 (0.42) UGCGGBA2GBA1LCTSI
SCHEMBL25962292 0.91 GBA1 (0.41) UGCGGBA2GBA1LCTSI
SCHEMBL25962125 0.91 UGCG (0.47) UGCGGBA2GBA1LCTSI
SCHEMBL25962179 0.84 GBA1 (0.45) UGCGGBA2GBA1LCTSI
SCHEMBL25962080 0.82 GBA1 (0.43) UGCGGBA2GBA1LCTSI
SCHEMBL26219887 0.81 GBA1 (0.43) UGCGGBA2GBA1LCTSI
SCHEMBL25962272 0.81 UGCG (0.40) UGCGGBA2GBA1LCTSI
SCHEMBL25962093 0.81 GBA1 (0.42) UGCGGBA2GBA1LCTSI
SCHEMBL25962338 0.80 UGCG (0.45) 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
WO-2023131720-A1 TREATMENT OF GM2 GANGLIOSIDOSIS AZAFAROS B.V. (NL) 2023-07-13 — — WO disclosed
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