SCHEMBL7443939

SCHEMBL7443939

CC(=O)c1ccc(NOC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCC(CN)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 19/20 0.65
▸ KLKB1 P03952 2/20 0.65
▸ PLAU P00749 2/20 0.65
▸ PRSS1 P07477 16/20 0.60
▸ PRSS2 P07478 16/20 0.60
▸ PRSS3 P35030 16/20 0.60

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
SCHEMBL10420463 0.93 PLG (0.55) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL6450458 0.93 KLKB1 (0.75) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7449011 0.89 PLG (0.53) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL10421058 0.88 PLG (0.61) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL7447019 0.88 PLG (0.62) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7449900 0.87 PLG (0.62) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL7443945 0.86 PLG (0.63) PLGKLKB1PLAUPRSS1PRSS2
SCHEMBL7443929 0.86 PLG (0.63) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7266456 0.84 KLKB1 (0.61) PLGKLKB1PLAUPRSS1PRSS2
Hydrochloric Acid SCHEMBL7267028 0.83 KLKB1 (0.61) 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-4895842-A Phenylalanine derivative and proteinase inhibitor SHOSUKE OKAMOTO (JP) 1990-01-23 — — US disclosed
EP-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 — — EP disclosed
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