SCHEMBL5051763

SCHEMBL5051763

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL27728772 0.81 MDM4 (0.49) MDM4TP53TLR2CASP3MDM2
SCHEMBL30340142 0.80 MDM4 (0.47) MDM4TP53TLR2CASP3MDM2
SCHEMBL14436881 0.80 MDM2 (0.47) MDM4TP53TLR2CASP3MDM2
SCHEMBL30340789 0.80 MDM4 (0.45) MDM4TP53TLR2CASP3MDM2
SCHEMBL13996828 0.79 TLR2 (0.49) MDM4TP53TLR2CASP3MDM2
SCHEMBL5055623 0.79 CASP3 (0.45) MDM4TP53CASP3MDM2TNF
SCHEMBL13227673 0.79 TLR2 (0.57) MDM4TP53TLR2CASP3MDM2
SCHEMBL21597893 0.79 TLR2 (0.57) MDM4TP53TLR2CASP3MDM2
SCHEMBL12568245 0.79 TLR2 (0.57) MDM4TP53TLR2CASP3MDM2
SCHEMBL19157353 0.79 TLR2 (0.48) MDM4TP53TLR2CASP3MDM2

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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