SCHEMBL9226594

SCHEMBL9226594

CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]2OC(C)(C)O[C@@H]2[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ CA2 P00918 7/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL7148753 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL6241033 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL13290042 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL6269225 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL1308779 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL13800900 0.91 CA2 (0.41) HPGDCA2CA1CA9CYP3A4
SCHEMBL18055911 0.85 HPGD (0.43) HPGDCA2CA1CA9CYP3A4
SCHEMBL10613643 0.85 HPGD (0.43) HPGDCA2CA1CA9CYP3A4
SCHEMBL7154401 0.84 CA9 (0.46) CA2CA1CA9MMP9
SCHEMBL7150973 0.84 CA9 (0.46) CA2CA1CA9MMP9

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-0650974-A1 Acylaminosaccharide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-05-03 — — EP disclosed
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