SCHEMBL28378672

SCHEMBL28378672

OC[C@H]1OC(NC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ PYGB P11216 7/20 0.56
▸ GAA P10253 1/20 0.56
▸ LGALS1 P09382 2/20 0.50
▸ LGALS3 P17931 2/20 0.50
▸ LGALS9 O00182 1/20 0.50
▸ LGALS8 O00214 1/20 0.50
▸ AKR1B1 P15121 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL1224787 1.00 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL12894485 1.00 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL2230624 1.00 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL31510868 0.84 CA12 (0.49) CA12CA1CA2CA9PYGB
SCHEMBL14067604 0.82 CA1 (0.59) CA12CA1CA2CA9PYGB
SCHEMBL12603813 0.82 CA12 (0.55) CA12CA1CA2CA9PYGB
SCHEMBL14707760 0.82 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL18722237 0.82 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL1647661 0.82 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL3228008 0.82 PYGB (0.58) 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
CN-111133112-A Sialyltransferases and their use in the production of sialylated oligosaccharides 詹尼温生物技术有限责任公司 2020-05-08 — — CN disclosed
CN-111032670-A Compounds for treating systemic insulin resistance disorders and uses thereof 卡莱克汀科学有限责任公司 2020-04-17 — — CN disclosed
CN-110869378-A Compounds for preventing and treating diseases and use thereof 卡莱克汀科学有限责任公司 2020-03-06 — — CN disclosed
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