SCHEMBL28285463

SCHEMBL28285463

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ THRB P10828 1/20 0.62
▸ MAPK1 P28482 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CD69 Q07108 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ LGALS8 O00214 1/20 0.47
▸ LGALS3 P17931 1/20 0.47
▸ LGALS4 P56470 1/20 0.47

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
SCHEMBL27603506 0.91 ALDH1A1 (0.66) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL7155546 0.88 ALDH1A1 (0.65) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL7155543 0.88 ALDH1A1 (0.65) ALDH1A1THRBMAPK1SMN1; SMN2CD69
Bromide SCHEMBL28686876 0.87 ALDH1A1 (0.64) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL24943853 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL24223153 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL24916806 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL24996997 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22596723 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL21415435 0.84 ALDH1A1 (0.67) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110051676-A For adjusting the human milk oligosaccharides of inflammation 雅培制药有限公司 2019-07-26 — — CN disclosed
CN-109620834-A Improve the method for respiratory health using human milk oligosaccharides 雅培制药有限公司 2019-04-16 — — CN disclosed
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