SCHEMBL6828270

SCHEMBL6828270

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COP(=O)(OCCN1CCCC1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.49
▸ CTSL P07711 9/20 0.49
▸ CAPN1 P07384 3/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CTSS P25774 3/20 0.46
▸ HTRA1 Q92743 1/20 0.45
▸ CTSB P07858 1/20 0.44

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
SCHEMBL8710241 0.86 CAPN1 (0.61) CTSKCTSLCAPN1CTSSHTRA1
Hydrochloric Acid SCHEMBL6828093 0.85 CAPN1 (0.60) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL8710235 0.79 CAPN1 (0.60) CTSKCTSLCAPN1CTSSHTRA1
Hydrochloric Acid SCHEMBL6828092 0.78 CAPN1 (0.59) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL6828393 0.78 CAPN1 (0.63) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL6828120 0.78 CAPN1 (0.63) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL6825605 0.78 CAPN1 (0.63) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL8916002 0.77 CAPN1 (0.62) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL6828119 0.77 CAPN1 (0.62) CTSKCTSLCAPN1CTSSHTRA1
SCHEMBL8703908 0.76 CAPN1 (0.56) CTSKCTSLCAPN1CASP1CTSS

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 2 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
US-5639732-A FOR TREATING NERVOUS SYSTEM DISORDERS OR AS ANTIINFLAMMATORY AGENT CEPHALON, INC. (US) 1997-06-17 — — US disclosed
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