SCHEMBL28732847

SCHEMBL28732847

O=C(O)CCC(NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.48
▸ GAA P10253 1/20 0.47
▸ SELP P16109 2/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44

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
SCHEMBL31206883 0.98 PYGB (0.46) PYGBGAASELPCA12CA1
SCHEMBL867964 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL27997210 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL28419458 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL3801496 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL20476841 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL2012475 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL2354072 0.84 PYGB (0.44) PYGBGAACA12CA1CA2
SCHEMBL28135999 0.84 PYGB (0.44) PYGBGAACA12CA1CA2
SCHEMBL31207121 0.83 PYGB (0.50) PYGBGAACA12CA1CA2

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
CN-114306171-A Topical skin compositions and uses thereof 玫琳凯有限公司 2022-04-12 — — CN disclosed
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