SCHEMBL7860727

SCHEMBL7860727

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.55
CMA1 P23946 13/20 0.55

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
SCHEMBL8498381 0.90 ELANE (0.63) ELANECMA1
SCHEMBL8920472 0.89 CMA1 (0.53) ELANECMA1
SCHEMBL8921575 0.89 CMA1 (0.53) ELANECMA1
SCHEMBL6374299 0.88 CMA1 (0.49) ELANECMA1
SCHEMBL10297464 0.85 CMA1 (0.49) ELANECMA1
SCHEMBL10297427 0.85 CMA1 (0.49) ELANECMA1
SCHEMBL8630185 0.85 CMA1 (0.51) ELANECMA1
SCHEMBL8053347 0.85 ELANE (0.56) ELANECMA1
SCHEMBL8053356 0.85 ELANE (0.56) ELANECMA1
SCHEMBL7337411 0.84 ELANE (0.62) 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US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US 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
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed