SCHEMBL5055624

SCHEMBL5055624

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.45
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ CACNA1B Q00975 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL15883749 0.89 CASP3 (0.48) CASP3MDM4TP53MDM2CACNA1B
SCHEMBL15387332 0.89 CASP3 (0.48) CASP3MDM4TP53MDM2CACNA1B
SCHEMBL29357117 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL872021 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL30261869 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL30648981 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL46349 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL3722284 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL16327179 0.86 CASP3 (0.48) CASP3MDM4TP53MDM2KMT2A
SCHEMBL29362906 0.86 MDM4 (0.55) CASP3MDM4TP53MDM2

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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