SCHEMBL8098196

SCHEMBL8098196

CC1(C)OC2COC(C(=O)O)C2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
ACHE P22303 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 2/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA6 P23280 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL26752863 0.85 CA2 (0.35) CA1CA2CA9MGAMGAA
SCHEMBL29416500 0.84 GAA (0.40) CA1CA2CA9MGAMGAA
SCHEMBL19889183 0.82 MAPK1 (0.33) CA1CA2MGAMGAASI
SCHEMBL16153579 0.82 CA2 (0.43) CA1CA2CA9MGAMGAA
SCHEMBL2898462 0.82 CA2 (0.43) CA1CA2CA9MGAMGAA
SCHEMBL25021461 0.81 MAPK1 (0.36) CA1CA2CA9MGAMGAA
SCHEMBL30642244 0.81 CA2 (0.35) CA1CA2CA9MGAMGAA
SCHEMBL22517311 0.76 ALDH1A1 (0.40) GAAMAPK1NPSR1MAPT
SCHEMBL22508834 0.76 CA1 (0.31) CA1CA2CA9
SCHEMBL24725272 0.74 GRM6 (0.35) CA2MAPK1NPSR1

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-117098767-A METTL3 modulators 埃克森特治疗公司 2023-11-21 CN disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed