SCHEMBL8822089

SCHEMBL8822089

CCCCCCCCCCCCCCCCCCCC(=O)NC1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 17/20 0.53
▸ CA1 P00915 17/20 0.53
▸ CA2 P00918 17/20 0.53
▸ CA9 Q16790 17/20 0.53
▸ CA14 Q9ULX7 10/20 0.53
▸ PRKCA P17252 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NR3C1 P04150 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 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
SCHEMBL8821997 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822000 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822029 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822034 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822003 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822013 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822018 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822001 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8822093 1.00 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL13480230 0.93 PRKCA (0.55) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285178-B1 Mannobiose derivatives MEITO SANGYO KK (JP) 1997-02-12 — — EP disclosed
EP-0285178-A2 Mannobiose derivatives MEITO SANGYO CO., LTD. (JP) 1988-10-05 — — EP disclosed
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