SCHEMBL9129683

SCHEMBL9129683

CC(C)Oc1cc(C(C)C)c2c(c1)S(=O)(=O)N(c1c(F)c(F)nc(F)c1F)C2=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.44
CTSG P08311 1/20 0.44
CEL P19835 1/20 0.44

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
SCHEMBL9127871 0.90 ELANE (0.47) ELANECTSGCEL
SCHEMBL7004780 0.61 ELANE (0.66) ELANE
SCHEMBL7238810 0.60 ELANE (0.65) ELANE
SCHEMBL7305972 0.60 ELANE (0.68) ELANE
SCHEMBL7307278 0.60 ELANE (0.58) ELANE
SCHEMBL7308324 0.58 ELANE (0.41) ELANE
SCHEMBL7095969 0.57 ELANE (0.51) ELANE
SCHEMBL8813362 0.55 ELANE (0.51) ELANE
SCHEMBL7336223 0.55 ELANE (0.54) ELANE
SCHEMBL19088240 0.55 SYK (0.36)

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-5455255-A Inhibitor of proteolytic enzymes, for treatment of emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1995-10-03 US disclosed