SCHEMBL7317534

SCHEMBL7317534

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
MALT1 Q9UDY8 1/20 0.55
CMA1 P23946 7/20 0.52
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
ABCB1 P08183 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
SCHEMBL7312175 0.98 ITGB3 (0.58) ITGB3ITGA2BMALT1CMA1KLK7
SCHEMBL7322601 0.94 ITGB3 (0.57) ITGB3ITGA2BMALT1CMA1KLK7
SCHEMBL7309936 0.93 ITGB3 (0.59) ITGB3ITGA2BMALT1CMA1KLK7
SCHEMBL7320588 0.91 MALT1 (0.59) ITGB3ITGA2BMALT1DPP4DPP8
SCHEMBL7316481 0.91 ITGB3 (0.49) ITGB3ITGA2BMALT1CMA1ADORA3
SCHEMBL5971737 0.89 ITGB3 (0.66) ITGB3ITGA2BCMA1ADORA3ADORA2A
SCHEMBL7312472 0.88 ITGB3 (0.59) ITGB3ITGA2BCMA1ADORA3ADORA2A
SCHEMBL7320222 0.88 CMA1 (0.56) ITGB3ITGA2BMALT1CMA1KLK7
SCHEMBL7321341 0.88 CMA1 (0.56) ITGB3ITGA2BMALT1CMA1KLK7
SCHEMBL7311270 0.87 MALT1 (0.53) ITGB3ITGA2BMALT1CMA1DPP4

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