SCHEMBL8526287

SCHEMBL8526287

Cc1c(C)c(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(CNC(N)=O)cc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.48
PLAU P00749 2/20 0.48
F10 P00742 1/20 0.48
KLKB1 P03952 1/20 0.48
F2 P00734 4/20 0.39
ST14 Q9Y5Y6 1/20 0.38
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADAM10 O14672 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM8 P78325 1/20 0.32
ADAM17 P78536 1/20 0.32
LMNA P02545 1/20 0.32
NPY4R P50391 2/20 0.32
NPY1R P25929 1/20 0.32

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
SCHEMBL7038734 0.90 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL7043617 0.89 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL7020069 0.86 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL1740223 0.85 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL8529439 0.85 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL8526347 0.82 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL8526348 0.81 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL7170375 0.81 PLG (0.43) PLGPLAUF10KLKB1F2
SCHEMBL7165117 0.81 PLAU (0.43) PLGPLAUF10KLKB1F2
SCHEMBL7170050 0.81 PLG (0.43) PLGPLAUF10KLKB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed