SCHEMBL7317461

SCHEMBL7317461

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.53
CMA1 P23946 12/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ELANE P08246 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL7355181 0.94 MALT1 (0.59) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7312695 0.90 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7318839 0.90 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7313441 0.90 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7312528 0.89 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7311225 0.89 DPP8 (0.52) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7313975 0.89 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7318250 0.89 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7311270 0.89 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7320223 0.88 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BELANE

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