SCHEMBL28514916

SCHEMBL28514916

CCCC(=O)N[C@H]1C(OC(=O)C(NC(=O)OC(C)(C)C)C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TLR4 O00206 4/20 0.35
▸ CTSK P43235 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ LY96 Q9Y6Y9 1/20 0.33

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
SCHEMBL21058397 0.81 CTSK (0.35) PYGBMAPK1TLR4CTSKCTSS
SCHEMBL21137891 0.81 CTSK (0.35) PYGBMAPK1TLR4CTSKCTSS
SCHEMBL21137912 0.76 PYGB (0.57) PYGBALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL21058388 0.75 PYGB (0.32) PYGBCTSKCTSS
SCHEMBL21137920 0.74 PYGB (0.44) PYGBALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL21137896 0.73 SDCBP (0.32) PYGBCTSKCTSS
Hydrochloric Acid SCHEMBL31731457 0.73 PYGB (0.44) PYGBALDH1A1THRBMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL21058386 0.73 PYGB (0.44) PYGBALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL21137864 0.73 PYGB (0.59) PYGBALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL25957442 0.72 CTSK (0.36) PYGBALDH1A1THRBSMN1; SMN2TLR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594724-A Glucosamine derivatives for preventing or treating joint diseases 润佳(苏州)医药科技有限公司(CN) 2023-01-13 — — CN disclosed
CN-115215911-A Glucosamine derivative, composition thereof and medical application thereof 润佳(苏州)医药科技有限公司 2022-10-21 — — CN disclosed
CN-111971290-B Glucosamine derivatives for preventing or treating joint diseases 润佳(苏州)医药科技有限公司 2022-10-14 — — CN disclosed
CN-109929001-B Glucosamine derivative, composition thereof and medical application thereof 润佳(苏州)医药科技有限公司 2022-07-08 — — CN disclosed
CN-111971290-A Glucosamine derivatives for preventing or treating joint diseases 润佳(苏州)医药科技有限公司 2020-11-20 — — CN disclosed
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