Coumarin

Coumarin

SCHEMBL29043446

O=S(=O)(Cl)Cl.O=c1ccc2ccccc2o1

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.80
CA9 Q16790 7/20 0.80
CA1 P00915 5/20 0.80
CA2 P00918 4/20 0.80
MCL1 Q07820 3/20 0.80
CA3 P07451 3/20 0.80
CA4 P22748 3/20 0.80
CA5A P35218 3/20 0.80
CA7 P43166 3/20 0.80
CA14 Q9ULX7 3/20 0.80
TDP1 Q9NUW8 3/20 0.80
CA5B Q9Y2D0 2/20 0.80
LMNA P02545 2/20 0.80
CA6 P23280 2/20 0.80
SOST Q9BQB4 1/20 0.80
PGR P06401 1/20 0.49
MAOB P27338 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 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
Coumarin SCHEMBL29385611 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL28886137 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL3441294 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL621751 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL1038138 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL6252 0.89 CA12 (1.00) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL28826370 0.88 CA9 (0.80) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL3768564 0.88 CA12 (0.80) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL9643642 0.87 CA12 (0.95) CA12CA9CA1CA2MCL1
Coumarin SCHEMBL2301559 0.87 CA12 (0.95) CA12CA9CA1CA2MCL1

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-116348755-A System and method for home percutaneous assessment of gastrointestinal function 麦迪贝肯有限公司 2023-06-27 CN disclosed