Coumarin

Coumarin

SCHEMBL6002460

O=c1ccc2ccccc2o1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.77

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.77
CA9 Q16790 11/20 0.77
CA1 P00915 5/20 0.77
MCL1 Q07820 4/20 0.77
CA3 P07451 4/20 0.77
CA4 P22748 4/20 0.77
CA5A P35218 4/20 0.77
CA7 P43166 4/20 0.77
CA14 Q9ULX7 4/20 0.77
CA5B Q9Y2D0 4/20 0.77
CA2 P00918 3/20 0.77
CA6 P23280 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
LMNA P02545 2/20 0.77
SOST Q9BQB4 1/20 0.77
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
AKR1B1 P15121 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 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 SCHEMBL25431834 0.88 CA12 (0.91) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL29385611 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL6252 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL28886137 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL3441294 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL1038138 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL621751 0.88 CA12 (1.00) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL28179407 0.86 CA12 (0.80) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL11101317 0.86 CA12 (0.87) CA12CA9CA1MCL1CA3
Coumarin SCHEMBL8144767 0.86 CA12 (0.95) CA12CA9CA1MCL1CA3

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
EP-1363916-A4 EMISSIVE MULTICHROMOPHORIC SYSTEMS UNIV PENNSYLVANIA (US) 2006-06-28 EP disclosed
EP-1363916-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS The Trustees of The University of Pennsylvania (US) 2003-11-26 EP disclosed
WO-2002104072-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-12-27 WO disclosed