SCHEMBL7316481

SCHEMBL7316481

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CMA1 P23946 10/20 0.48
MALT1 Q9UDY8 1/20 0.47
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
PSMB5 P28074 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ABCB1 P08183 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
FAP Q12884 1/20 0.42

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
SCHEMBL7316605 0.92 MALT1 (0.50) ITGB3ITGA2BCMA1MALT1PSMB5
SCHEMBL7317534 0.91 ITGB3 (0.55) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7312175 0.90 ITGB3 (0.58) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7322601 0.87 ITGB3 (0.57) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7320223 0.86 MALT1 (0.51) ITGB3ITGA2BCMA1MALT1PSMB5
SCHEMBL7309936 0.85 ITGB3 (0.59) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7314536 0.83 MALT1 (0.51) ITGB3ITGA2BCMA1MALT1PSMB5
SCHEMBL7319422 0.82 MALT1 (0.51) ITGB3ITGA2BCMA1MALT1PSMB5
SCHEMBL7320588 0.82 MALT1 (0.59) ITGB3ITGA2BMALT1PSMB5DPP4
SCHEMBL7311270 0.82 MALT1 (0.53) ITGB3ITGA2BCMA1MALT1PSMB5

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