SCHEMBL10074730

SCHEMBL10074730

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@H](S)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCSC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
AKT1 P31749 1/20 0.44
TGM2 P21980 1/20 0.43
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
MAPK1 P28482 1/20 0.42
HRH2 P25021 1/20 0.40
HRH1 P35367 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
SCHEMBL10077520 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10054406 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10078257 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10054396 0.91 DPP4 (0.49) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10077069 0.91 DPP4 (0.49) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10074146 0.91 DPP4 (0.49) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10074723 0.89 ITGB3 (0.47) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10077068 0.89 ITGB3 (0.47) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10077056 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7ITGB3
SCHEMBL10078256 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed