SCHEMBL6825534

SCHEMBL6825534

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)CBr

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.74
CTSK P43235 8/20 0.64
CTSL P07711 9/20 0.62
HTRA1 Q92743 1/20 0.62
CTSB P07858 6/20 0.61
CTSS P25774 2/20 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
SCHEMBL7164724 0.95 CTSK (0.67) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7165055 0.90 CTSK (0.66) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL3044116 0.89 TACR1 (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7325031 0.87 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL7327426 0.87 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL27809377 0.87 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL9828791 0.87 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL6825051 0.86 REN (0.64) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL8407401 0.86 CTSK (0.65) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL9393894 0.86 CAPN1 (0.69) 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 6 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-B1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2003-11-12 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