SCHEMBL5049234

SCHEMBL5049234

CCOP(=O)(OCC)Oc1ccc2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OCC(Cl)(Cl)Cl)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MDM2 Q00987 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL5051765 0.90 SLC17A5 (0.58) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5571166 0.85 SLC17A5 (0.66) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5276812 0.78 SLC17A5 (0.64) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5622852 0.78 SLC17A5 (0.64) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5622471 0.78 SLC17A5 (0.64) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14456737 0.73 SLC17A5 (0.80) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5622589 0.73 SLC17A5 (0.80) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5051764 0.72 MEN1 (0.38) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14456728 0.71 SLC17A5 (0.68) SLC17A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20281115 0.71 SLC17A5 (0.61) SLC17A5MEN1KMT2AMDM2MDM4

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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