SCHEMBL8955632

SCHEMBL8955632

CC(N[C@@H](Cc1cccc(CN)c1)C(=O)O)(OC(=O)N1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 11/20 0.44
▸ F10 P00742 5/20 0.44
▸ HPN P05981 1/20 0.44
▸ F2 P00734 4/20 0.42
▸ PLAU P00749 4/20 0.42
▸ ST14 Q9Y5Y6 3/20 0.42
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ F12 P00748 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ PROC P04070 1/20 0.39

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
SCHEMBL8954914 0.92 PLG (0.44) PLGF10HPNF2PLAU
SCHEMBL8954990 0.88 PLG (0.46) PLGF10HPNF2PLAU
SCHEMBL7058121 0.72 PLG (0.43) PLGF10HPNF2PLAU
SCHEMBL9665229 0.71 F2 (0.64) PLGF10HPNF2PLAU
SCHEMBL8954934 0.66 F2 (0.76) PLGF10HPNF2PLAU
SCHEMBL29682629 0.66 PLG (0.62) PLGF10HPNF2PLAU
SCHEMBL18049398 0.65 PLG (0.62) PLGF10HPNF2PLAU
SCHEMBL18049397 0.65 PLG (0.62) PLGF10HPNF2PLAU
SCHEMBL8954649 0.64 F2 (0.60) PLGF10HPNF2PLAU
SCHEMBL6162909 0.64 MAPK1 (0.62) —

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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