SCHEMBL7288773

SCHEMBL7288773

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(CO[Si](C)(C)C(C)(C)C)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.61

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
SCHEMBL9745389 0.91 ELANE (0.66) ELANE
SCHEMBL9744941 0.87 ELANE (0.81) ELANE
SCHEMBL7289203 0.83 ELANE (0.81) ELANE
SCHEMBL13814740 0.78 ELANE (0.53) ELANE
SCHEMBL7286279 0.78 CAPN1 (0.51) ELANE
SCHEMBL10081595 0.76 ELANE (0.65) ELANE
SCHEMBL31628587 0.75 ELANE (0.51) ELANE
SCHEMBL7004717 0.75 ELANE (0.51) ELANE
SCHEMBL7279115 0.75 ELANE (0.50) ELANE
SCHEMBL29427202 0.75 ELANE (0.49) ELANE

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
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed