SCHEMBL19944565

SCHEMBL19944565

CCOC(=O)/C=C/[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ PLAU P00749 4/20 0.42
▸ HPN P05981 4/20 0.42
▸ PSMB8 P28062 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PSMB5 P28074 4/20 0.38
▸ BMP1 P13497 5/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP14 P50281 1/20 0.35

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
SCHEMBL19944859 0.88 ITGB3 (0.49) ITGB3ITGA2BPLAUHPNPSMB8
SCHEMBL15462679 0.88 ITGB3 (0.43) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL20052367 0.88 ITGB3 (0.43) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL20356157 0.88 ITGB3 (0.43) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL20356156 0.81 ITGB3 (0.43) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL1839480 0.77 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL1839478 0.77 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNKDM4E
SCHEMBL20052405 0.76 CASP3 (0.50) ITGB3ITGA2BPLAUHPNPSMB5
SCHEMBL20356013 0.76 CASP3 (0.50) ITGB3ITGA2BPLAUHPNPSMB5
SCHEMBL15462701 0.76 CASP3 (0.50) ITGB3ITGA2BPLAUHPNPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 — — EP disclosed
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