SCHEMBL9016491

SCHEMBL9016491

COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(C)ccnc1C)C2=O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.69

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
SCHEMBL7438847 0.88 ELANE (0.81) ELANE
SCHEMBL8867762 0.85 ELANE (0.73) ELANE
SCHEMBL7303952 0.84 ELANE (0.66) ELANE
SCHEMBL7303525 0.83 ELANE (0.67) ELANE
SCHEMBL7428497 0.82 ELANE (0.81) ELANE
SCHEMBL7434313 0.81 ELANE (1.00) ELANE
SCHEMBL7300412 0.81 ELANE (0.67) ELANE
SCHEMBL7295651 0.81 ELANE (0.62) ELANE
SCHEMBL7303907 0.80 ELANE (0.66) ELANE
SCHEMBL9010433 0.80 ELANE (0.74) 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-5488062-A 2-saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-01-30 US disclosed