SCHEMBL7320588

SCHEMBL7320588

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.59
ACE P12821 3/20 0.53
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TGM2 P21980 4/20 0.48
F13A1 P00488 1/20 0.48
TGM1 P22735 1/20 0.48
PSMB5 P28074 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL7309936 0.94 ITGB3 (0.59) MALT1ACEITGB3ITGA2B
SCHEMBL7311270 0.93 MALT1 (0.53) MALT1ACEDPP4DPP8DPP9
SCHEMBL7314536 0.91 MALT1 (0.51) MALT1ACEDPP4DPP8DPP9
SCHEMBL7317534 0.91 ITGB3 (0.55) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7319422 0.90 MALT1 (0.51) MALT1ACEDPP4DPP8DPP9
SCHEMBL7324440 0.90 MALT1 (0.59) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7316605 0.90 MALT1 (0.50) MALT1ACEDPP4DPP8DPP9
SCHEMBL10080677 0.89 MALT1 (0.60) MALT1
SCHEMBL7312175 0.89 ITGB3 (0.58) MALT1ITGB3ITGA2B
SCHEMBL7322601 0.88 ITGB3 (0.57) MALT1ITGB3ITGA2B

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