SCHEMBL4557910

SCHEMBL4557910

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.33
▸ PLG P00747 3/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ ITGB3 P05106 9/20 0.33
▸ ITGA2B P08514 9/20 0.33
▸ MMP13 P45452 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ YAP1 P46937 1/20 0.30
▸ PLAT P00750 1/20 0.30

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
SCHEMBL4452679 0.86 CTSB (0.32) ITGB3ITGA2B
SCHEMBL4556761 0.84 PLAU (0.43) PLAUPLGF2F10ST14
SCHEMBL4556596 0.81 PLAU (0.41) PLAUPLGF2F10ST14
SCHEMBL4557815 0.78 ITGB3 (0.42) PLAUPLGF2F10ST14
SCHEMBL4459041 0.68 ITGB3 (0.36) PLAUPLGF2F10ST14
SCHEMBL6129266 0.67 PLAU (0.61) PLAUPLGF2F10ST14
SCHEMBL13795553 0.65 PLAU (0.64) PLAUPLGF2F10ST14
SCHEMBL2243219 0.62 ADAMTS4 (0.37) PLAUPLGF2F10ITGB3
SCHEMBL6551292 0.61 MGLL (0.30) —
Hydrochloric Acid SCHEMBL6550006 0.61 PLAU (0.35) PLAUPLGF2F10ST14

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-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 — — EP disclosed
EP-1511721-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS Wilex AG (DE) 2005-03-09 — — EP disclosed
WO-2003103644-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2003-12-18 — — WO disclosed
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