SCHEMBL14900304

SCHEMBL14900304

COCC1OC(CO)[C@@H](O)C(O)C1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPK1 P28482 2/20 0.52
▸ PYGB P11216 1/20 0.48
▸ CD69 Q07108 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ LGALS8 O00214 1/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ LGALS4 P56470 1/20 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
SCHEMBL17771655 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL12936319 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL8761995 0.86 ALDH1A1 (0.44) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL14608529 0.86 ALDH1A1 (0.44) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL18095809 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL18095869 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL18095805 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL22204687 0.84 LGALS3 (0.44) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL18095829 0.83 ALDH1A1 (0.50) ALDH1A1THRBMAPK1PYGBCD69
SCHEMBL16393013 0.83 ALDH1A1 (0.55) ALDH1A1THRBMAPK1PYGBCD69

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-1440077-B1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LTD (AU) 2013-05-01 — — EP disclosed
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