SCHEMBL16728933

SCHEMBL16728933

O=S(=O)(O)NC1C(O)OC(CO)C(O)C1OS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ CA12 O43570 6/20 0.38
▸ CA1 P00915 6/20 0.38
▸ CA2 P00918 6/20 0.38
▸ CA9 Q16790 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LGALS8 O00214 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ F10 P00742 2/20 0.33
▸ HK2 P52789 3/20 0.33
▸ HK1 P19367 2/20 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
SCHEMBL29535299 1.00 MAPK1 (0.40) MAPK1LGALS3CA12CA1CA2
SCHEMBL29535657 0.90 LGALS3 (0.36) MAPK1LGALS3CA12CA1CA2
SCHEMBL29535345 0.88 LGALS3 (0.38) MAPK1LGALS3CA12CA1CA2
SCHEMBL29534894 0.86 F10 (0.43) LGALS3CA2F10
SCHEMBL16729068 0.86 LGALS3 (0.36) MAPK1LGALS3CA12CA1CA2
SCHEMBL7121030 0.83 LGALS8 (0.47) LGALS3CA12CA1CA2CA9
SCHEMBL7121026 0.83 LGALS8 (0.47) LGALS3CA12CA1CA2CA9
SCHEMBL741519 0.82 SLC2A1 (0.42) MAPK1LGALS3CA12CA1CA2
SCHEMBL5318200 0.82 SLC2A1 (0.42) MAPK1LGALS3CA12CA1CA2
SCHEMBL150778 0.82 SLC2A1 (0.42) MAPK1LGALS3CA12CA1CA2

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
WO-2015071335-A1 ANALYTIC METHODS FOR THE DETERMINATION OF POLYSACCHARIDES, ESPECIALLY GLYCOSAMINOGLYCANS CHEMI S.P.A. (IT) 2015-05-21 — — WO disclosed
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