SCHEMBL8954617

SCHEMBL8954617

COC(=O)c1cccc(C[C@H](NC(=O)[C@@](N)(Cc2cccc(C(=N)N)c2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 10/20 0.51
▸ F10 P00742 7/20 0.51
▸ HPN P05981 2/20 0.51
▸ PLAU P00749 6/20 0.49
▸ F12 P00748 2/20 0.48
▸ KLKB1 P03952 2/20 0.48
▸ PROC P04070 2/20 0.48
▸ PLAT P00750 1/20 0.47

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
SCHEMBL8954951 0.85 PLG (0.51) PLGF10HPNPLAUF12
SCHEMBL8954612 0.82 PLG (0.64) PLGF10HPNPLAUF12
Hydrochloric Acid SCHEMBL9710624 0.80 F2 (0.47) PLGF10HPNPLAU
SCHEMBL8954844 0.74 F10 (0.50) PLGF10HPNPLAUPROC
SCHEMBL8954943 0.73 F10 (0.49) PLGF10HPNPLAUPROC
Bicarbonate SCHEMBL9666014 0.73 F10 (0.49) PLGF10HPNPLAUPROC
SCHEMBL4997545 0.72 PLAU (0.76) PLGF10HPNPLAUF12
SCHEMBL8954806 0.71 F10 (0.52) PLGF10HPNPLAUPROC
Bicarbonate SCHEMBL9665131 0.71 F10 (0.57) PLGF10PLAU
Hydrochloric Acid SCHEMBL9710621 0.71 CA2 (0.51) PLGF10PLAU

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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