SCHEMBL29176364

SCHEMBL29176364

CCCCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NCC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.69
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ LGALS8 O00214 2/20 0.44
▸ LGALS3 P17931 2/20 0.44
▸ LGALS4 P56470 2/20 0.44
▸ GBA1 P04062 3/20 0.43
▸ GJB2 P29033 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CETP P11597 1/20 0.39

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
SCHEMBL27507139 0.87 MAPK1 (0.70) MAPK1CA1CA2CA9LGALS8
SCHEMBL10881693 0.86 MAPK1 (0.66) MAPK1CA1CA2CA9LGALS8
SCHEMBL10881696 0.86 MAPK1 (0.66) MAPK1CA1CA2CA9LGALS8
SCHEMBL26624841 0.86 MAPK1 (0.73) MAPK1CA1CA2CA9LGALS8
SCHEMBL10882040 0.86 MAPK1 (0.62) MAPK1CA1CA2CA9LGALS8
SCHEMBL10882036 0.86 MAPK1 (0.62) MAPK1CA1CA2CA9LGALS8
SCHEMBL10881878 0.84 MAPK1 (0.53) MAPK1CA1CA2CA9LGALS8
SCHEMBL10884139 0.84 MAPK1 (0.53) MAPK1CA1CA2CA9LGALS8
SCHEMBL10881870 0.84 MAPK1 (0.53) MAPK1CA1CA2CA9LGALS8
SCHEMBL10884131 0.84 MAPK1 (0.53) MAPK1CA1CA2CA9LGALS8

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-117723757-A Metabolic markers for diagnosing acute myocardial infarction 哈尔滨脉图精准技术有限公司 2024-03-19 — — CN disclosed
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