SCHEMBL7312528

SCHEMBL7312528

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.51
CMA1 P23946 3/20 0.44
PSMB5 P28074 1/20 0.43
REN P00797 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
FAP Q12884 1/20 0.42
PRCP P42785 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ELANE P08246 1/20 0.41
EPHA2 P29317 1/20 0.40

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
SCHEMBL7318250 0.97 MALT1 (0.51) MALT1CMA1PSMB5RENITGB3
SCHEMBL7322097 0.93 REN (0.49) MALT1CMA1RENITGB3ITGA2B
SCHEMBL7355181 0.92 MALT1 (0.59) MALT1CMA1RENITGB3ITGA2B
SCHEMBL7314571 0.92 MALT1 (0.50) MALT1CMA1PSMB5ITGB3ITGA2B
SCHEMBL7320223 0.92 MALT1 (0.51) MALT1CMA1PSMB5ITGB3ITGA2B
SCHEMBL7313441 0.91 MALT1 (0.52) MALT1CMA1PSMB5ITGB3ITGA2B
SCHEMBL7317461 0.89 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7314536 0.89 MALT1 (0.51) MALT1CMA1PSMB5RENITGB3
SCHEMBL7313975 0.88 MALT1 (0.51) MALT1CMA1PSMB5RENITGB3
SCHEMBL7312695 0.88 MALT1 (0.52) MALT1CMA1PSMB5ITGB3ITGA2B

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