SCHEMBL6828101

SCHEMBL6828101

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.58
▸ ACE P12821 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ PSEN1 P49768 3/20 0.46
▸ PSEN2 P49810 3/20 0.46
▸ APH1B Q8WW43 3/20 0.46
▸ NCSTN Q92542 3/20 0.46
▸ APH1A Q96BI3 3/20 0.46
▸ PSENEN Q9NZ42 3/20 0.46
▸ APP P05067 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ PSMB5 P28074 1/20 0.45

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
SCHEMBL6828697 0.89 CAPN1 (0.58) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL6825437 0.87 REN (0.64) RENACEMAPK1CTSSCTSL
SCHEMBL22928874 0.80 REN (0.71) RENCTSSCTSLCTSBCTSK
SCHEMBL3499528 0.80 REN (0.71) RENACEMAPK1CTSSCTSL
SCHEMBL21244275 0.80 REN (0.71) RENACEMAPK1CTSSCTSL
SCHEMBL19341935 0.80 REN (0.71) RENACEMAPK1CTSSCTSL
SCHEMBL17629479 0.80 REN (0.71) RENACEMAPK1CTSSCTSL
SCHEMBL3824374 0.80 REN (0.71) RENACEMAPK1CTSSCTSL
SCHEMBL6897460 0.79 REN (0.73) RENACEMAPK1CTSSCTSL
SCHEMBL9101385 0.79 REN (0.73) RENACEMAPK1CTSSCTSL

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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