SCHEMBL7045236

SCHEMBL7045236

Cc1c(C)c(S(=O)(=O)NC(=O)[C@H](CCCNC(=N)N)NCc2ccc(CNC(=O)OCc3ccccc3)cc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
F10 P00742 1/20 0.41
KLKB1 P03952 1/20 0.41
TMPRSS11D O60235 1/20 0.40
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
F2 P00734 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP13 P45452 1/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL8112584 0.91 PLG (0.41) PLGPLAUF10KLKB1TMPRSS11D
SCHEMBL7043617 0.91 PLG (0.47) PLGPLAUF10KLKB1TMPRSS11D
SCHEMBL7038739 0.89 PLG (0.43) PLGPLAUF10KLKB1TMPRSS11D
SCHEMBL8112581 0.86 PLG (0.40) PLGPLAUF10KLKB1TMPRSS11D
SCHEMBL8118877 0.84 NPY1R (0.41) PLGPLAUF10KLKB1ITGB3
SCHEMBL4438826 0.81 SIRT2 (0.44) PLGPLAUF10KLKB1ITGB3
SCHEMBL8127032 0.80 ITGB3 (0.36) PLGPLAUF10KLKB1ITGB3
SCHEMBL7038734 0.80 PLG (0.47) PLGPLAUF10KLKB1ITGB3
SCHEMBL8118879 0.80 PLG (0.38) PLGPLAUF10KLKB1TMPRSS11D
SCHEMBL8526287 0.79 PLG (0.48) PLGPLAUF10KLKB1ITGB3

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-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed