SCHEMBL8770830

SCHEMBL8770830

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.51
▸ GAA P10253 1/20 0.51
▸ AKR1B1 P15121 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 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
SCHEMBL4957206 0.82 LMNA (0.47) PYGBGAACA12CA1CA2
SCHEMBL4954637 0.82 LMNA (0.47) PYGBGAACA12CA1CA2
SCHEMBL5318596 0.81 PYGB (0.58) PYGBGAAAKR1B1CA12CA1
SCHEMBL18376576 0.77 PYGB (0.56) PYGBGAAAKR1B1CA12CA1
SCHEMBL12430289 0.76 PYGB (0.64) PYGBGAAAKR1B1CA12CA1
SCHEMBL25269789 0.75 PDE4A (0.44) PYGBGAA
SCHEMBL286030 0.75 PDE4A (0.44) PYGBGAA
SCHEMBL8816109 0.75 PDE4A (0.44) PYGBGAA
SCHEMBL6157749 0.75 PDE4A (0.44) PYGBGAA
SCHEMBL7785564 0.75 PDE4A (0.44) PYGBGAA

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-0670844-B1 ALDONAMIDES AND THEIR USE AS SURFACTANTS UNILEVER PLC (GB) 1997-10-01 — — EP disclosed
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