SCHEMBL11070746

SCHEMBL11070746

C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.46
▸ SLC6A2 P23975 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ HRAS P01112 1/20 0.40
▸ HK1 P19367 1/20 0.40
▸ HK2 P52789 1/20 0.40

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
SCHEMBL8822976 1.00 LGALS8 (0.46) LGALS8SLC6A2CA1CA2CA9
SCHEMBL11302596 1.00 LGALS8 (0.46) LGALS8SLC6A2CA1CA2CA9
SCHEMBL21630079 0.92 SLC6A2 (0.45) LGALS8SLC6A2CA1CA2CA9
SCHEMBL7768969 0.89 LGALS8 (0.51) LGALS8SLC6A2CA1CA2CA9
SCHEMBL8823022 0.88 LGALS8 (0.50) LGALS8SLC6A2
SCHEMBL8537936 0.84 LGALS8 (0.61) LGALS8CA1CA2CA9HRAS
SCHEMBL8537938 0.84 LGALS8 (0.61) LGALS8CA1CA2CA9HRAS
SCHEMBL9238485 0.84 LGALS8 (0.61) LGALS8CA1CA2CA9HRAS
SCHEMBL2003046 0.84 LMNA (0.50) LGALS8CA1CA2CA9
SCHEMBL25412287 0.82 SLC6A2 (0.43) LGALS8SLC6A2

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
US-4472573-A ANTITUMOR, ANTILEUKEMIC TANABE SEIYAKU CO., LTD. (JP) 1984-09-18 — — US disclosed
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