SCHEMBL7440177

SCHEMBL7440177

NC[C@H]1CC[C@H](C(=O)NC(Cc2cccc(Oc3ccccc3)c2)C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 12/20 0.60
▸ PRSS1 P07477 3/20 0.55
▸ PRSS2 P07478 3/20 0.55
▸ PRSS3 P35030 3/20 0.55
▸ KLKB1 P03952 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PLG P00747 3/20 0.54
▸ PLAU P00749 1/20 0.54
▸ MME P08473 1/20 0.53
▸ ACE P12821 1/20 0.53
▸ CPA1 P15085 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53

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
SCHEMBL7440172 1.00 F11 (0.60) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7435430 0.92 F11 (0.58) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7435422 0.92 F11 (0.58) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL7540226 0.90 PLG (0.61) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL7540234 0.90 PLG (0.61) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7275801 0.89 PLG (0.60) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7545755 0.89 PLG (0.60) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7448099 0.88 F11 (0.55) F11PRSS1PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL7448102 0.88 F11 (0.55) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL7432240 0.86 F11 (0.53) F11PRSS1PRSS2PRSS3KLKB1

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 disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 — — EP disclosed
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