SCHEMBL5050585

SCHEMBL5050585

O=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MDM2 Q00987 3/20 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
SCHEMBL29401049 0.90 CASP3 (0.60) CASP3KMT2AMDM4TP53MDM2
SCHEMBL5055624 0.86 CASP3 (0.45) CASP3KMT2AMDM4TP53MDM2
SCHEMBL5055623 0.86 CASP3 (0.45) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30988972 0.85 CASP3 (0.59) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29401389 0.85 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL28641187 0.85 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29400163 0.85 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29381847 0.85 CASP3 (0.58) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13163900 0.85 CASP3 (0.61) CASP3KMT2AMDM4TP53MDM2
SCHEMBL12671602 0.85 CASP3 (0.58) CASP3KMT2AMDM4TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045507-B2 Coumarin-based amino acids for use in enzyme activity and substrate specificity assays UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-06-02 — — US disclosed
EP-1946102-A1 COUMARIN-BASED AMINO ACIDS FOR USE IN ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY ASSAYS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-07-23 — — EP disclosed
US-20070031892-A1 Novel coumarin-based amino acids for use in enzyme activity and substrate specificity assays USC 2007-02-08 — — US disclosed
WO-2007014326-A1 COUMARIN-BASED AMINO ACIDS FOR USE IN ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY ASSAYS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-02-01 — — WO disclosed
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