SCHEMBL7038739

SCHEMBL7038739

Cc1c(C)c(S(=O)(=O)NC(=O)[C@H](CCCNC(=N)N)NCc2ccc(CN(C)Cc3ccccc3)cc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLG P00747 7/20 0.43
F10 P00742 5/20 0.43
PLAU P00749 2/20 0.43
KLKB1 P03952 1/20 0.43
F2 P00734 6/20 0.35
TLR2 O60603 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
TMPRSS11D O60235 8/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TMPRSS2 O15393 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
ALOX5 P09917 1/20 0.31

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) PLGF10PLAUKLKB1F2
SCHEMBL7045236 0.89 PLG (0.41) PLGF10PLAUKLKB1F2
SCHEMBL8526353 0.81 PLG (0.43) PLGF10PLAUKLKB1F2
SCHEMBL8112584 0.80 PLG (0.41) PLGF10PLAUKLKB1F2
SCHEMBL8526287 0.80 PLG (0.48) PLGF10PLAUKLKB1F2
SCHEMBL7043617 0.80 PLG (0.47) PLGF10PLAUKLKB1F2
SCHEMBL8529439 0.79 PLG (0.49) PLGF10PLAUKLKB1F2
SCHEMBL1740223 0.79 PLG (0.49) PLGF10PLAUKLKB1F2
SCHEMBL7020069 0.76 PLG (0.49) PLGF10PLAUKLKB1F2
SCHEMBL8525681 0.76 PLG (0.40) PLGF10PLAUKLKB1F2

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 3 patents. 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
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