SCHEMBL7322145

SCHEMBL7322145

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.67
ITGA2B P08514 1/20 0.67
KLK7 P49862 2/20 0.57
KLK5 Q9Y337 2/20 0.57
ACE P12821 3/20 0.57
MAPT P10636 1/20 0.54
DPP4 P27487 2/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
ABCB1 P08183 1/20 0.52
CMA1 P23946 2/20 0.50
HTRA1 Q92743 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49

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
SCHEMBL7322422 0.97 ITGB3 (0.64) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL11017398 0.97 ITGB3 (0.63) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL5971737 0.94 ITGB3 (0.66) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL7321814 0.94 ITGB3 (0.65) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL16215777 0.92 ITGB3 (0.63) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL10619564 0.92 ITGB3 (0.63) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL17460683 0.92 ITGB3 (0.63) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL13599692 0.91 ITGB3 (0.62) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL7309936 0.91 ITGB3 (0.59) ITGB3ITGA2BKLK7KLK5ACE
SCHEMBL7325125 0.91 ITGB3 (0.62) ITGB3ITGA2BKLK7KLK5ACE

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 5 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-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 EP disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed
EP-0071544-A1 Phosphonamidate compounds E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed