SCHEMBL6622828

SCHEMBL6622828

CCOC(=O)/C=C/[C@@H](CCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
SYK P43405 1/20 0.51
CTSL P07711 8/20 0.48
CTSB P07858 2/20 0.48
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP4 P49662 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP8 Q14790 1/20 0.47
CASP10 Q92851 1/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSK P43235 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 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
SCHEMBL6620586 1.00 MAPT (0.52) MAPTSYKCTSLCTSBCASP1
SCHEMBL6621080 1.00 MAPT (0.52) MAPTSYKCTSLCTSBCASP1
SCHEMBL6620590 1.00 MAPT (0.52) MAPTSYKCTSLCTSBCASP1
SCHEMBL2771197 0.84 CTSK (0.56) SYKCTSLCTSBCTSK
SCHEMBL5765656 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK
SCHEMBL5743142 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK
SCHEMBL2249922 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK
SCHEMBL5765651 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK
SCHEMBL2249917 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK
SCHEMBL5743140 0.83 CTSL (0.50) SYKCTSLCTSBKLK5CTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891362-B1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LTD (GB) 2004-03-17 EP disclosed
US-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed