SCHEMBL7860595

SCHEMBL7860595

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
CMA1 P23946 15/20 0.43
CTRC Q99895 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL7966452 0.92 ELANE (0.41) ELANECMA1CTRCCTSKCTSL
SCHEMBL8510794 0.91 ELANE (0.41) ELANECMA1CTRCCTSKCTSL
SCHEMBL7860728 0.89 ELANE (0.41) ELANECMA1CTRC
SCHEMBL7330747 0.88 ELANE (0.39) ELANECMA1CTSKCTSLCTSB
SCHEMBL7329397 0.87 ELANE (0.39) ELANECMA1CTSKCTSLCTSB
SCHEMBL7881751 0.83 CTSL (0.43) ELANECMA1CTSKCTSLCTSB
SCHEMBL7853825 0.83 ELANE (0.39) ELANECMA1CTSKCTSLCTSB
SCHEMBL7860575 0.80 ELANE (0.41) ELANECTSKCTSLCTSS
SCHEMBL7860987 0.79 ELANE (0.37) ELANE
SCHEMBL7964797 0.78 ELANE (0.44) ELANECMA1

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-0762887-B1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMA INC (US) 2001-09-26 EP disclosed
US-5972897-A AN ANTIINFLAMMATORY AGENTS TREATING CYSTIC FIBROSIS AND EMPHYSEMA OR BOWEL DISEASES, A NEUTROPHIL ASSOCIATED INFLAMMATORY DISEASE, BRONCHITIS MERRELL PHARMACEUTICALS INC. (US) 1999-10-26 US disclosed
EP-0762887-A4 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMA INC (US) 1999-03-31 EP disclosed
EP-0762887-A1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1997-03-19 EP disclosed
WO-1995033478-A1 ACYLATED ENOL DERIVATIVES AS PRODRUGS OF ELASTASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-12-14 WO disclosed