SCHEMBL26135776

SCHEMBL26135776

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ PYGB P11216 7/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL29439292 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL4292200 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL31150424 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL20265935 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL28448246 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL28444663 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL734876 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL28448523 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL9346601 0.81 CA12 (0.42) CA12CA1CA2CA9PYGB
SCHEMBL28732847 0.81 PYGB (0.48) CA12CA1CA2CA9PYGB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194333-A1 RECOMBINANT SPIDER SILK-REINFORCED COLLAGEN PROTEINS PRODUCED IN PLANTS AND THE USE THEREOF SWIFTPHARMA BV (BE) 2023-10-12 — — WO disclosed
CN-106573952-A Hexose derivatives and their formulations and uses 里斯本大学科学与技术学院 2017-04-19 — — CN disclosed
CN-101469329-B Compositions and methods for increasing bone mineralization DARWIN DISCOVERY LTD 2012-10-24 — — CN disclosed
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