SCHEMBL7320222

SCHEMBL7320222

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 14/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
MALT1 Q9UDY8 1/20 0.54
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
ELANE P08246 1/20 0.48
HTRA1 Q92743 1/20 0.47
CTRC Q99895 1/20 0.47

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
SCHEMBL7321824 0.95 ITGB3 (0.59) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7312909 0.93 ITGB3 (0.62) CMA1ITGB3ITGA2BKLK7KLK5
SCHEMBL7320990 0.92 CMA1 (0.55) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7309936 0.91 ITGB3 (0.59) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7321341 0.91 CMA1 (0.56) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7312175 0.90 ITGB3 (0.58) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7322601 0.90 ITGB3 (0.57) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7320775 0.89 CMA1 (0.51) CMA1MALT1ELANECTRC
SCHEMBL7307515 0.88 CMA1 (0.54) CMA1ITGB3ITGA2BMALT1KLK7
SCHEMBL7317534 0.88 ITGB3 (0.55) CMA1ITGB3ITGA2BMALT1KLK7

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