SCHEMBL7316605

SCHEMBL7316605

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.50
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
PSMB5 P28074 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ACE P12821 2/20 0.45
FAP Q12884 1/20 0.44
CMA1 P23946 2/20 0.44
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
TGM2 P21980 2/20 0.43
ACE2 Q9BYF1 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
SCHEMBL7316481 0.92 ITGB3 (0.49) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7314536 0.90 MALT1 (0.51) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7320588 0.90 MALT1 (0.59) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7319422 0.90 MALT1 (0.51) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7320223 0.89 MALT1 (0.51) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7311270 0.86 MALT1 (0.53) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7309936 0.86 ITGB3 (0.59) MALT1ITGB3ITGA2BACECMA1
SCHEMBL7309431 0.84 MALT1 (0.51) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7313056 0.83 MALT1 (0.54) MALT1DPP4DPP8DPP9DPP7
SCHEMBL7320410 0.83 MALT1 (0.53) MALT1DPP4DPP8DPP9DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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