SCHEMBL13626265

SCHEMBL13626265

C[C@H]1[C@H](O)[C@@H](OCCO)[C@@H](OC[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)O[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.49
▸ AMY2A P04746 4/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ GAA P10253 5/20 0.32
▸ MGAM O43451 2/20 0.31
▸ AMY1A P0DUB6 1/20 0.31
▸ SI P14410 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ LGALS8 O00214 1/20 0.30
▸ CD209 Q9NNX6 1/20 0.30

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
SCHEMBL13626267 0.85 CA2 (0.46) CA2SLC2A1GAACD209
SCHEMBL16556418 0.82 LGALS8 (0.43) GAAMGAMSILGALS8
SCHEMBL19337537 0.78 MAPK1 (0.38) CA2LGALS8CD209
SCHEMBL18519129 0.74 LGALS8 (0.36) GAALGALS8
SCHEMBL21022960 0.73 CA2 (0.71) CA2GAALGALS8CD209
SCHEMBL19213283 0.73 SSTR1 (0.36) LGALS8
SCHEMBL12253286 0.71 CA1 (0.35) CA2SLC2A1LGALS8
SCHEMBL16407908 0.71 CA2 (0.56) CA2AMY2AGAACD209
SCHEMBL18519128 0.70 TNF (0.36) LGALS8
SCHEMBL13539943 0.69 LGALS8 (0.44) AMY2AMGAMSILGALS8

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-2009135888-A2 COMPLEX OCTAPHARMA AG (CH) 2009-11-12 — — WO disclosed
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