SCHEMBL16377897

SCHEMBL16377897

O=C(NCCCS(=O)(=O)O)OCCCO[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.41
▸ LGALS3 P17931 2/20 0.41
▸ LGALS4 P56470 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IGF2R P11717 2/20 0.36

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
SCHEMBL13944648 1.00 LGALS8 (0.41) LGALS8LGALS3LGALS4MAPK1MMP1
SCHEMBL23652153 1.00 LGALS8 (0.41) LGALS8LGALS3LGALS4MAPK1MMP1
SCHEMBL13944872 0.85 LGALS8 (0.40) LGALS8LGALS3LGALS4MAPK1MMP1
SCHEMBL22328414 0.85 LGALS8 (0.40) LGALS8LGALS3LGALS4MAPK1MMP1
SCHEMBL16658408 0.85 LGALS8 (0.40) LGALS8LGALS3LGALS4MAPK1MMP1
SCHEMBL15927382 0.85 MAPK1 (0.37) LGALS8LGALS3LGALS4MAPK1CA12
SCHEMBL13944870 0.83 PYGB (0.39) LGALS8CA12CA1CA2CA9
SCHEMBL16658586 0.82 ACHE (0.31) —
SCHEMBL23652112 0.77 GAA (0.40) CA12CA1CA2CA9
SCHEMBL13945298 0.77 GAA (0.40) CA12CA1CA2CA9

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-2089417-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LTD PARTNERSHIP (CA) 2014-12-31 — — EP disclosed
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