SCHEMBL7285235

SCHEMBL7285235

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.60
CAPN1 P07384 2/20 0.54
ELANE P08246 1/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
PREP P48147 2/20 0.53
CCR1 P32246 1/20 0.53

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
SCHEMBL7305436 0.93 CMA1 (0.65) CMA1ELANECTSL
SCHEMBL8366717 0.93 CMA1 (0.65) CMA1ELANECTSL
SCHEMBL31185247 0.92 CMA1 (0.52) CMA1CTSLCTSBPREP
SCHEMBL3469545 0.90 PREP (0.65) CMA1ELANECTSLPREP
SCHEMBL10416187 0.90 PREP (0.65) CMA1ELANECTSLPREP
SCHEMBL30051146 0.90 ALDH1A1 (0.62) CMA1CAPN1ELANECTSLCTSB
SCHEMBL1506200 0.90 ALDH1A1 (0.62) CMA1CAPN1ELANECTSLCTSB
SCHEMBL22209363 0.90 ALDH1A1 (0.62) CMA1CAPN1ELANECTSLCTSB
SCHEMBL12023625 0.90 ALDH1A1 (0.53) CMA1ELANECTSLPREP
SCHEMBL478151 0.90 ALDH1A1 (0.53) CMA1ELANECTSLPREP

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054593-A Proline derivatives ZENECA LIMITED (GB) 2000-04-25 US disclosed
US-6048889-A Proline derivatives ZENECA LIMITED (GB) 2000-04-11 US disclosed
US-6037363-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 2000-03-14 US disclosed
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5907043-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 1999-05-25 US disclosed
US-5808097-A OXIDATION OF THE CORRESPONDING HYDROXY COMPOUND ZENECA LIMITED (GB) 1998-09-15 US disclosed
US-5739157-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5686628-A Proline derivatives ZENECA LTD. (GB) 1997-11-11 US disclosed
EP-0743953-A1 DIASTEREOMERIC PURE TRIFLUOROMETHYL KETONE PEPTIDE DERIVATIVES AS INHIBITORS OF HUMAN LEUKOCYTE ELASTASE ZENECA LIMITED (GB) 1996-11-27 EP disclosed
US-4923890-A Difluoro keto compounds and their use as HLE inhibitors ICI AMERICAS INC. (US) 1990-05-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
US-4880780-A RESPIRATORY SYSTEM DISORDERS ICI AMERICAS INC. (US) 1989-11-14 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
EP-0249349-A1 Difluoroketo compounds ICI AMERICAS INC. (US) 1987-12-16 EP disclosed
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
EP-0204571-A2 Selected difluoro derivatives ICI AMERICAS INC. (US) 1986-12-10 EP disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed