SCHEMBL7312472

SCHEMBL7312472

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
KLK5 Q9Y337 3/20 0.53
KLK7 P49862 2/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
ACE P12821 2/20 0.51
CMA1 P23946 1/20 0.51
MAPT P10636 1/20 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

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
SCHEMBL5971737 0.93 ITGB3 (0.66) ITGB3ITGA2BKLK5KLK7ADORA3
SCHEMBL7325125 0.93 ITGB3 (0.62) ITGB3ITGA2BKLK5KLK7ACE
SCHEMBL14377235 0.91 ITGB3 (0.57) ITGB3ITGA2BKLK5KLK7ADORA3
SCHEMBL7322422 0.91 ITGB3 (0.64) ITGB3ITGA2BKLK5KLK7ACE
SCHEMBL10619564 0.91 ITGB3 (0.63) ITGB3ITGA2BKLK5KLK7ADORA3
SCHEMBL7312175 0.91 ITGB3 (0.58) ITGB3ITGA2BKLK5KLK7CMA1
SCHEMBL7321814 0.89 ITGB3 (0.65) ITGB3ITGA2BKLK5KLK7F2
SCHEMBL7317534 0.88 ITGB3 (0.55) ITGB3ITGA2BKLK5KLK7ADORA3
SCHEMBL16215777 0.88 ITGB3 (0.63) ITGB3ITGA2BKLK5KLK7F2
SCHEMBL7322145 0.88 ITGB3 (0.67) ITGB3ITGA2BKLK5KLK7F2

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 2 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
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed