SCHEMBL19650261

SCHEMBL19650261

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(OS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.45
MCL1 Q07820 4/20 0.39

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
SCHEMBL10221208 1.00 ELANE (0.45) ELANEMCL1
SCHEMBL15258576 1.00 ELANE (0.45) ELANEMCL1
SCHEMBL3372052 0.92 ELANE (0.42) ELANEMCL1
SCHEMBL15258574 0.92 ELANE (0.42) ELANEMCL1
SCHEMBL8131130 0.92 ELANE (0.44) ELANEMCL1
SCHEMBL10221213 0.92 ELANE (0.42) ELANEMCL1
SCHEMBL15483922 0.92 ELANE (0.42) ELANEMCL1
SCHEMBL8140391 0.91 ELANE (0.45) ELANEMCL1
SCHEMBL14092834 0.89
SCHEMBL2744335 0.86 AAK1 (0.40) ELANEMCL1

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
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed