SCHEMBL9744941

SCHEMBL9744941

COC(=O)c1ccc2oc(C(=O)C(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.81

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
SCHEMBL7289203 0.94 ELANE (0.81) ELANE
SCHEMBL9745389 0.90 ELANE (0.66) ELANE
SCHEMBL7288773 0.87 ELANE (0.61) ELANE
SCHEMBL7286035 0.84 ELANE (0.75) ELANE
SCHEMBL27316255 0.84 ELANE (0.75) ELANE
SCHEMBL13814740 0.81 ELANE (0.53) ELANE
SCHEMBL7286279 0.80 CAPN1 (0.51) ELANE
SCHEMBL7276954 0.79 ELANE (0.77) ELANE
SCHEMBL27293502 0.79 ELANE (0.77) ELANE
SCHEMBL7004717 0.79 ELANE (0.51) 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