SCHEMBL8027243

SCHEMBL8027243

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ CD69 Q07108 1/20 0.47
▸ LGALS8 O00214 3/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LGALS3 P17931 1/20 0.45
▸ LGALS4 P56470 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL29556423 1.00 ALDH1A1 (0.52) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL7154639 1.00 ALDH1A1 (0.52) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL7154645 1.00 ALDH1A1 (0.52) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL16373481 0.89 LGALS8 (0.45) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL6324514 0.88 LMNA (0.53) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL6324521 0.88 LMNA (0.53) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL10687435 0.88 LMNA (0.53) ALDH1A1THRBMAPK1CD69LGALS8
SCHEMBL7155543 0.88 ALDH1A1 (0.65) ALDH1A1THRBMAPK1CD69KMT2A
SCHEMBL7155546 0.88 ALDH1A1 (0.65) ALDH1A1THRBMAPK1CD69KMT2A
SCHEMBL5177597 0.87 LMNA (0.54) ALDH1A1THRBMAPK1CD69LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711766-B1 7-FLUORO-2, 3-DIDEHYDROSIALIC ACID AND INTERMEDIATE FOR SYNTHESIS THEREOF DAIKIN IND LTD (JP) 2000-02-16 — — EP disclosed
US-5627290-A 2,3-didehydrosialic acid substituted with fluorine at 7-position and synthetic intermediate thereof DAIKIN INDUSTRIES, LTD. (JP) 1997-05-06 — — US disclosed
EP-0711766-A1 7-FLUORO-2, 3-DIDEHYDROSIALIC ACID AND INTERMEDIATE FOR SYNTHESIS THEREOF DAIKIN INDUSTRIES, LIMITED (JP) 1996-05-15 — — EP disclosed
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