SCHEMBL6828391

SCHEMBL6828391

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cc1cccc(P(=O)(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.58
▸ MME P08473 1/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ CTSK P43235 7/20 0.55
▸ CTSL P07711 7/20 0.55
▸ CTSB P07858 4/20 0.54
▸ CTSS P25774 3/20 0.53
▸ HTRA1 Q92743 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
SCHEMBL8916002 0.85 CAPN1 (0.62) CAPN1MMEECE1CTSKCTSL
SCHEMBL6828392 0.84 CAPN1 (0.59) CAPN1MMEECE1CTSKCTSL
SCHEMBL6828390 0.84 CAPN1 (0.59) CAPN1MMEECE1CTSKCTSL
SCHEMBL8710235 0.83 CAPN1 (0.60) CAPN1MMEECE1CTSKCTSL
Hydrochloric Acid SCHEMBL6828092 0.83 CAPN1 (0.59) CAPN1MMEECE1CTSKCTSL
SCHEMBL8710241 0.82 CAPN1 (0.61) CAPN1MMEECE1CTSKCTSL
SCHEMBL6828393 0.82 CAPN1 (0.63) CAPN1MMEECE1CTSKCTSL
Hydrochloric Acid SCHEMBL6828093 0.81 CAPN1 (0.60) CAPN1MMEECE1CTSKCTSL
SCHEMBL6828119 0.81 CAPN1 (0.62) CAPN1MMEECE1CTSKCTSL
SCHEMBL7312774 0.80 CAPN1 (0.69) CAPN1CTSKCTSLCTSBCTSS

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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