SCHEMBL6828697

SCHEMBL6828697

Cc1ccccc1P(=O)(OCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.58
▸ CTSK P43235 10/20 0.54
▸ CTSL P07711 6/20 0.54
▸ HTRA1 Q92743 1/20 0.52
▸ CTSB P07858 3/20 0.52
▸ CTSS P25774 2/20 0.52

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
SCHEMBL6828101 0.89 REN (0.58) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL6828120 0.87 CAPN1 (0.63) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6825605 0.87 CAPN1 (0.63) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6828393 0.87 CAPN1 (0.63) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6828119 0.86 CAPN1 (0.62) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6829949 0.85 CAPN1 (0.55) CAPN1CTSKCTSLHTRA1CTSS
SCHEMBL8710241 0.85 CAPN1 (0.61) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL8710235 0.84 CAPN1 (0.60) CAPN1CTSKCTSLHTRA1CTSB
Hydrochloric Acid SCHEMBL6828093 0.84 CAPN1 (0.60) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6829922 0.84 CTSK (0.62) CAPN1CTSKCTSLHTRA1CTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389624-A1 Phosphorous-containing cysteine and serine protease inhibitors CEPHALON, INC. (US) 2004-02-18 — — EP disclosed
EP-0871454-A4 — — 1998-11-25 — — EP disclosed
EP-0871454-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-10-21 — — EP disclosed
US-5639732-A FOR TREATING NERVOUS SYSTEM DISORDERS OR AS ANTIINFLAMMATORY AGENT CEPHALON, INC. (US) 1997-06-17 — — US disclosed
WO-1997003679-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-02-06 — — WO disclosed
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