SCHEMBL7408175

SCHEMBL7408175

CC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(=O)C(=O)C(F)(F)C(F)(F)F)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.51
CTSG P08311 1/20 0.45
XIAP P98170 1/20 0.44
DPP4 P27487 6/20 0.43
DPP7 Q9UHL4 5/20 0.43
FAP Q12884 3/20 0.43
DPP8 Q6V1X1 3/20 0.43
PREP P48147 2/20 0.43
DPP9 Q86TI2 2/20 0.43
PITRM1 Q5JRX3 1/20 0.43

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
SCHEMBL7408179 1.00 ELANE (0.51) ELANECTSGXIAPDPP4DPP7
SCHEMBL31061570 0.89 ELANE (0.62) ELANECTSGXIAPDPP4DPP7
SCHEMBL7206990 0.88 ELANE (0.48) ELANECTSGXIAP
SCHEMBL8428295 0.85 ELANE (0.59) ELANECTSGXIAPDPP4DPP7
SCHEMBL29641757 0.81 XIAP (0.58) ELANEXIAPDPP4DPP7FAP
SCHEMBL6374299 0.80 CMA1 (0.49) ELANE
SCHEMBL13668934 0.79 XIAP (0.48) ELANEXIAPDPP4DPP7FAP
SCHEMBL2767860 0.79 XIAP (0.48) ELANEXIAPDPP4DPP7FAP
SCHEMBL14982872 0.79 ELANE (0.47) ELANEXIAPDPP4DPP7FAP
Bromide SCHEMBL3164359 0.78 XIAP (0.47) ELANEXIAPDPP4DPP7FAP

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
US-6172044-B1 ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-01-09 US disclosed
EP-0863915-B1 ACYLATED ENOL DERIVATIVES OF ALPHA-KETOESTERS AND ALPHA-KETOAMIDES HOECHST MARION ROUSSEL INC (US) 2000-02-02 EP disclosed
US-5948886-A ELASTASE INHIBITORS OR PRODRUGS; FOR TREATMENT OF EMPHYSEMA, CYSTIC FIBROSIS, ADULT RESPIRATORY DISTRESS SYNDROME, GOUT, DISSEMINATED INTRAVASCULAR COAGULATION, RHEUMATOID ARTHRITIS, CHRONIC BRONCHITIS, INFLAMMATORY BOWEL DISEASE, SEPTICEMIA HOECHST MARION ROUSSEL, INC. (US) 1999-09-07 US disclosed
EP-0863915-A1 ACYLATED ENOL DERIVATIVES OF $g(a)-KETOESTERS AND $g(a)-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997020856-A1 ACYLATED ENOL DERIVATIVES OF α-KETOESTERS AND α-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1997-06-12 WO disclosed