SCHEMBL13299701

SCHEMBL13299701

Cc1ccc(-c2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)CCCCC(=O)O)C(C)C)C(C)C)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.54

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
SCHEMBL13299695 0.94 ELANE (0.57) ELANE
SCHEMBL13299865 0.93 ELANE (0.52) ELANE
SCHEMBL13299871 0.91 ELANE (0.50) ELANE
SCHEMBL13299879 0.83 ELANE (0.52) ELANE
SCHEMBL13814756 0.83 ELANE (0.41) ELANE
SCHEMBL13814746 0.81 ELANE (0.50) ELANE
SCHEMBL13299866 0.81 ELANE (0.48) ELANE
SCHEMBL3255175 0.81 ELANE (0.48) ELANE
SCHEMBL13299875 0.81 ELANE (0.48) ELANE
Hydrochloric Acid SCHEMBL3249814 0.81 ELANE (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065461-A1 TRI-PEPTIDE INHIBITORS OF SERINE ELASTASES ACCUTHERA, INC. (US) 2010-06-10 WO disclosed