SCHEMBL8428295

SCHEMBL8428295

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.59
CTSG P08311 1/20 0.49
XIAP P98170 1/20 0.44
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
FAP Q12884 3/20 0.43
PREP P48147 2/20 0.43
DPP8 Q6V1X1 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
SCHEMBL31061570 0.93 ELANE (0.62) ELANECTSGXIAPDPP4DPP7
SCHEMBL7408179 0.85 ELANE (0.51) ELANECTSGXIAPDPP4DPP7
SCHEMBL7408175 0.85 ELANE (0.51) ELANECTSGXIAPDPP4DPP7
SCHEMBL7335507 0.83 ELANE (0.62) ELANE
SCHEMBL29641757 0.81 XIAP (0.58) ELANEXIAPDPP4DPP7FAP
SCHEMBL7330373 0.80 ELANE (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008196-A AN ENZYME INHIBITORS OF HUMAN NEUTROPHIL ELASTASE HOECHST MARION ROUSSEL, INC. (US) 1999-12-28 US disclosed
EP-0763055-B1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMA INC (US) 1999-11-03 EP disclosed