SCHEMBL7314571

SCHEMBL7314571

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.50
CMA1 P23946 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PSMB5 P28074 1/20 0.41
PRCP P42785 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
FAP Q12884 1/20 0.40
ELANE P08246 1/20 0.39
APLNR P35414 1/20 0.39
EPHA2 P29317 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL7320223 0.93 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7312528 0.92 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7355181 0.91 MALT1 (0.59) MALT1CMA1ITGB3ITGA2BPRCP
SCHEMBL7318250 0.90 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7313441 0.89 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7309431 0.89 MALT1 (0.51) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7317019 0.89 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7317461 0.88 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7312695 0.87 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BPSMB5
SCHEMBL7318839 0.87 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BDPP4

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