SCHEMBL14899261

SCHEMBL14899261

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.67
▸ THRB P10828 1/20 0.67
▸ MAPK1 P28482 2/20 0.64
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CD69 Q07108 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ LGALS3 P17931 1/20 0.51

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
SCHEMBL20469933 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL24916742 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL22606183 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL22596723 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL23705217 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL23705274 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL24223153 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL24943853 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL24916806 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL21415435 1.00 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9

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
US-8951961-B2 Structural and mechanistic basis for novel compound biosynthesis using 4-electron hexose oxidase ACADEMIA SINICA (TW) 2015-02-10 — — US disclosed
US-8431551-B2 Nutritional composition made using isolated organic matter DUOIBES, ALBERT R 2013-04-30 — — US disclosed
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