SCHEMBL7315995

SCHEMBL7315995

CC(C)[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
CMA1 P23946 11/20 0.53
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
MAPT P10636 1/20 0.48
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
HTRA1 Q92743 1/20 0.47
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
SCHEMBL7314317 0.97 ITGB3 (0.59) ITGB3ITGA2BCMA1F2PRSS1
Sulfurous Acid SCHEMBL7322037 0.97 ITGB3 (0.59) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7321341 0.93 CMA1 (0.56) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL10800056 0.91 ITGB3 (0.63) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7312909 0.90 ITGB3 (0.62) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7322145 0.89 ITGB3 (0.67) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL5971737 0.88 ITGB3 (0.66) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7321824 0.87 ITGB3 (0.59) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7321814 0.87 ITGB3 (0.65) ITGB3ITGA2BCMA1F2PRSS1
SCHEMBL7324440 0.87 MALT1 (0.59) ITGB3ITGA2BCMA1DPP4DPP8

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