SCHEMBL7314620

SCHEMBL7314620

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.53
ELANE P08246 3/20 0.52
CTRC Q99895 2/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL23969584 0.86 CMA1 (0.59) CMA1ELANECTRC
SCHEMBL24441416 0.85 CMA1 (0.54) CMA1ELANECTRCCTSLCTSB
SCHEMBL24224266 0.85 ELANE (0.56) CMA1ELANECTRC
SCHEMBL29356746 0.85 ELANE (0.56) CMA1ELANECTRC
SCHEMBL7316692 0.84 DPP4 (0.55) CMA1ELANE
SCHEMBL2162326 0.83 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL17378396 0.83 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL4445986 0.83 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL8168155 0.83 CMA1 (0.61) CMA1ELANECTSLCTSBCTSK
SCHEMBL13258959 0.83 CMA1 (0.51) CMA1ELANECTRCCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed