SCHEMBL7279751

SCHEMBL7279751

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)O)cc1)C(C)C)C(=O)c1nc2ccccc2o1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.76

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
SCHEMBL7278980 0.91 ELANE (0.69) ELANE
SCHEMBL27297328 0.90 ELANE (0.77) ELANE
SCHEMBL7287172 0.90 ELANE (0.77) ELANE
SCHEMBL7297609 0.90 ELANE (0.68) ELANE
SCHEMBL7279230 0.89 ELANE (0.68) ELANE
SCHEMBL7287011 0.86 ELANE (0.68) ELANE
SCHEMBL7287041 0.86 ELANE (0.84) ELANE
SCHEMBL27291021 0.86 ELANE (0.84) ELANE
SCHEMBL7284813 0.83 ELANE (0.74) ELANE
SCHEMBL7449334 0.82 ELANE (0.69) 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 3 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
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed