SCHEMBL16729068

SCHEMBL16729068

CC1C(CO)OC(O)C(NS(=O)(=O)O)C1OS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ F10 P00742 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CA12 O43570 5/20 0.31
▸ CA1 P00915 5/20 0.31
▸ CA2 P00918 5/20 0.31
▸ CA9 Q16790 5/20 0.31

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
SCHEMBL29535657 0.87 LGALS3 (0.36) LGALS3MAPK1F10KDM4ELMNA
SCHEMBL16728933 0.86 MAPK1 (0.40) LGALS3MAPK1F10KDM4ELMNA
SCHEMBL29535299 0.86 MAPK1 (0.40) LGALS3MAPK1F10KDM4ELMNA
SCHEMBL29535345 0.83 LGALS3 (0.38) LGALS3MAPK1F10KDM4ELMNA
SCHEMBL29534894 0.75 F10 (0.43) LGALS3F10CA2
SCHEMBL15449483 0.74 F10 (0.39) F10
SCHEMBL7121026 0.73 LGALS8 (0.47) LGALS3F10CA12CA1CA2
SCHEMBL7121030 0.73 LGALS8 (0.47) LGALS3F10CA12CA1CA2
SCHEMBL22988698 0.72 CA1 (0.47) LGALS3MAPK1KDM4ELMNACYP2D6
SCHEMBL1548307 0.72 CA1 (0.47) LGALS3MAPK1KDM4ELMNACYP2D6

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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