SCHEMBL8092357

SCHEMBL8092357

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)[C@@H](O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.58
ELANE P08246 9/20 0.56

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
SCHEMBL13036085 0.92 CMA1 (0.55) CMA1ELANE
SCHEMBL13036087 0.90 ELANE (0.58) CMA1ELANE
SCHEMBL13339328 0.90 ELANE (0.58) CMA1ELANE
SCHEMBL10081595 0.87 ELANE (0.65) CMA1ELANE
SCHEMBL7279072 0.86 CTSL (0.56) CMA1ELANE
SCHEMBL6591775 0.86 ELANE (0.54) CMA1ELANE
SCHEMBL6860414 0.86 ELANE (0.54) CMA1ELANE
SCHEMBL7323606 0.85 CMA1 (0.53) CMA1ELANE
SCHEMBL7285949 0.85 CMA1 (0.53) CMA1ELANE
SCHEMBL6282238 0.85 CMA1 (0.54) CMA1ELANE

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-6037363-A Diastereomeric pure trifluoromethyl ketone peptide derivatives as inhibitors of human leukocyte elastase ZENECA LIMITED (GB) 2000-03-14 US disclosed