SCHEMBL6829922

SCHEMBL6829922

COc1ccc(P(=O)(OCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.62
▸ CTSL P07711 5/20 0.62
▸ CTSS P25774 4/20 0.62
▸ CAPN1 P07384 2/20 0.57
▸ F2 P00734 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.51
▸ MME P08473 1/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ HTRA1 Q92743 1/20 0.51

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
SCHEMBL6825553 0.92 CAPN1 (0.54) CTSKCTSLCTSSCAPN1F2
SCHEMBL6829949 0.87 CAPN1 (0.55) CTSKCTSLCTSSCAPN1MME
SCHEMBL8710241 0.86 CAPN1 (0.61) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6828393 0.85 CAPN1 (0.63) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6825605 0.85 CAPN1 (0.63) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6828120 0.85 CAPN1 (0.63) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL8710235 0.85 CAPN1 (0.60) CTSKCTSLCTSSCAPN1CTSB
Hydrochloric Acid SCHEMBL6828093 0.85 CAPN1 (0.60) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6828119 0.85 CAPN1 (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL6828697 0.84 CAPN1 (0.58) CTSKCTSLCTSSCAPN1CTSB

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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