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Sugi Predict / Compounds / SCHEMBL7312175

SCHEMBL7312175

SCHEMBL7312175

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.58
▸ ITGA2B P08514 1/20 0.58
▸ CMA1 P23946 12/20 0.55
▸ MALT1 Q9UDY8 1/20 0.53
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ MAPT P10636 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
SCHEMBL7317534 0.98 ITGB3 (0.55) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7322601 0.96 ITGB3 (0.57) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7309936 0.95 ITGB3 (0.59) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL5971737 0.91 ITGB3 (0.66) ITGB3ITGA2BCMA1KLK7KLK5
SCHEMBL7312472 0.91 ITGB3 (0.59) ITGB3ITGA2BCMA1KLK7KLK5
SCHEMBL7320222 0.90 CMA1 (0.56) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7321341 0.90 CMA1 (0.56) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7316481 0.90 ITGB3 (0.49) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7320990 0.89 CMA1 (0.55) ITGB3ITGA2BCMA1MALT1KLK7
SCHEMBL7325125 0.89 ITGB3 (0.62) ITGB3ITGA2BCMA1KLK7KLK5

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