SCHEMBL5055623

SCHEMBL5055623

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.45
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ TNF P01375 1/20 0.40

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
SCHEMBL5050585 0.86 CASP3 (0.53) CASP3MDM4TP53KMT2AMDM2
SCHEMBL5055624 0.86 CASP3 (0.45) CASP3MDM4TP53KMT2AMDM2
SCHEMBL14586399 0.85 CASP3 (0.49) CASP3MDM4TP53KMT2AMDM2
SCHEMBL13382809 0.85 CASP3 (0.49) CASP3MDM4TP53KMT2AMDM2
SCHEMBL13863442 0.82 MDM4 (0.46) CASP3MDM4TP53KMT2AMDM2
SCHEMBL8009538 0.81 CASP3 (0.53) CASP3MDM4TP53KMT2AMDM2
SCHEMBL5051763 0.79 MDM4 (0.44) CASP3MDM4TP53KMT2AMDM2
SCHEMBL18269836 0.79 CASP3 (0.51) CASP3MDM4TP53KMT2AMDM2
SCHEMBL2439000 0.78 MDM4 (0.50) CASP3MDM4TP53KMT2AMDM2
SCHEMBL14456738 0.78 MDM4 (0.47) CASP3MDM4TP53KMT2AMDM2

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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