SCHEMBL7276954

SCHEMBL7276954

COC(=O)c1ccc2oc(C(=O)C(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NS(=O)(=O)C(F)(F)F)cc3)C(C)C)C(C)C)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.77

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
SCHEMBL27293502 1.00 ELANE (0.77) ELANE
SCHEMBL7287017 0.84 ELANE (1.00) ELANE
SCHEMBL7279150 0.83 ELANE (0.88) ELANE
SCHEMBL27316255 0.82 ELANE (0.75) ELANE
SCHEMBL7286035 0.82 ELANE (0.75) ELANE
Trifluoromethanesulfonic Acid SCHEMBL7276309 0.79 ELANE (0.71) ELANE
Trifluoromethanesulfonic Acid SCHEMBL27291958 0.79 ELANE (0.71) ELANE
SCHEMBL7279268 0.79 ELANE (1.00) ELANE
SCHEMBL9744941 0.79 ELANE (0.81) ELANE
SCHEMBL7279230 0.77 ELANE (0.68) 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