SCHEMBL4556761

SCHEMBL4556761

CC(C)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(C)OC(=O)N3CCNCC3)c(NC(=N)N)c2)C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 14/20 0.43
PLG P00747 14/20 0.43
F10 P00742 8/20 0.43
F2 P00734 7/20 0.43
ST14 Q9Y5Y6 7/20 0.43
HPN P05981 3/20 0.38
HGFAC Q04756 1/20 0.38
PLAT P00750 2/20 0.37
KLKB1 P03952 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36

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
SCHEMBL4556596 0.88 PLAU (0.41) PLAUPLGF10F2ST14
SCHEMBL4557815 0.84 ITGB3 (0.42) PLAUPLGF10F2ST14
SCHEMBL4459041 0.84 ITGB3 (0.36) PLAUPLGF10F2ST14
SCHEMBL4557910 0.84 PLAU (0.33) PLAUPLGF10F2ST14
SCHEMBL6129266 0.77 PLAU (0.61) PLAUPLGF10F2ST14
Hydrochloric Acid SCHEMBL6550006 0.72 PLAU (0.35) PLAUPLGF10F2ST14
SCHEMBL3747259 0.71 F10 (0.58) PLAUPLGF10F2ST14
SCHEMBL4462974 0.71 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL6551292 0.68 MGLL (0.30)
SCHEMBL2953288 0.68 PLAU (0.48) PLAUPLGF10F2ST14

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-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed