Coumarin

Coumarin

SCHEMBL27601322

C#N.CC(C)=O.O=c1ccc2ccccc2o1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 12/20 0.71
CA12 O43570 10/20 0.71
TDP1 Q9NUW8 3/20 0.71
MCL1 Q07820 3/20 0.71
CA1 P00915 3/20 0.71
LMNA P02545 2/20 0.71
CA2 P00918 2/20 0.71
CA3 P07451 2/20 0.71
CA4 P22748 2/20 0.71
CA5A P35218 2/20 0.71
CA7 P43166 2/20 0.71
CA14 Q9ULX7 2/20 0.71
CA5B Q9Y2D0 2/20 0.71
CA6 P23280 1/20 0.71
SOST Q9BQB4 1/20 0.71
KDM4E B2RXH2 6/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 4/20 0.48

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 SCHEMBL27598031 0.94 CA9 (0.80) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL27625446 0.91 CA12 (0.87) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL314829 0.89 CA9 (0.77) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL11101317 0.87 CA12 (0.87) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL1090505 0.85 CA12 (0.83) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL25431834 0.85 CA12 (0.91) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL28147412 0.85 CA12 (0.91) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL18496738 0.85 CA12 (0.91) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL3441294 0.84 CA12 (1.00) CA9CA12TDP1MCL1CA1
Coumarin SCHEMBL29385611 0.84 CA12 (1.00) CA9CA12TDP1MCL1CA1

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
CN-1520286-B Gastric retention controlled drug delivery system SUN PHARMA INC LTD 2010-12-01 CN disclosed
CN-1520286-A Gastric retention controlled drug delivery system ̫��ҽҩ��ҵ���޹�˾ 2004-08-11 CN disclosed