SCHEMBL7547778

SCHEMBL7547778

CC(=O)c1ccc(N)cc1.NC[C@H]1CC[C@H](C(=O)NC(Cc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 8/20 0.48
▸ KLKB1 P03952 5/20 0.48
▸ PLAU P00749 1/20 0.48
▸ PRSS1 P07477 6/20 0.46
▸ PRSS2 P07478 6/20 0.46
▸ PRSS3 P35030 6/20 0.46
▸ F11 P03951 11/20 0.41
▸ ACACB O00763 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
SCHEMBL7547772 1.00 PLG (0.48) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7542904 0.99 PLG (0.48) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7542912 0.99 PLG (0.48) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL10419583 0.92 PLG (0.48) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL10419577 0.92 PLG (0.48) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL7540234 0.84 PLG (0.61) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL7540226 0.84 PLG (0.61) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7275801 0.84 PLG (0.60) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7545755 0.84 PLG (0.60) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7442398 0.83 PLG (0.53) PLGKLKB1PLAUPRSS1PRSS2

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-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 — — US claimed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 — — EP claimed
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