SCHEMBL9744869

SCHEMBL9744869

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1ncco1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.71

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
SCHEMBL7289266 0.85 ELANE (0.65) ELANE
SCHEMBL27291021 0.84 ELANE (0.84) ELANE
SCHEMBL7287041 0.84 ELANE (0.84) ELANE
SCHEMBL9435994 0.84 ELANE (0.72) ELANE
SCHEMBL7859147 0.84 ELANE (0.72) ELANE
SCHEMBL23777549 0.84 ELANE (0.72) ELANE
SCHEMBL7278930 0.83 ELANE (1.00) ELANE
SCHEMBL7279936 0.82 ELANE (1.00) ELANE
SCHEMBL7285001 0.82 ELANE (0.66) ELANE
SCHEMBL7279268 0.82 ELANE (1.00) 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
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed