SCHEMBL4441010

SCHEMBL4441010

N=C(N)NCCC[C@H](N)C(=O)N1CC(O)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 4/20 0.44
ATM Q13315 1/20 0.41
PRSS1 P07477 2/20 0.37
TMPRSS15 P98073 2/20 0.37
ACE P12821 3/20 0.35
ARG1 P05089 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL4441005 1.00 DPP4 (0.44) DPP4DPP8DPP9ATMPRSS1
SCHEMBL29734330 0.88 DPP4 (0.38) DPP4DPP8DPP9ACE
SCHEMBL30069123 0.88 DPP4 (0.38) DPP4DPP8DPP9ACE
SCHEMBL11329668 0.85 ATM (0.39) ATMPRSS1TMPRSS15ACE
SCHEMBL24322780 0.84 F2 (0.42) DPP4PRSS1
SCHEMBL8277398 0.82 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL15434853 0.82 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2114959 0.81 ACE (0.46) DPP4DPP8DPP9ACE
SCHEMBL3451623 0.81 ACE (0.46) DPP4DPP8DPP9ACE
SCHEMBL2114955 0.81 ACE (0.46) DPP4DPP8DPP9ACE

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
EP-2117536-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS Beiersdorf AG (DE) 2009-11-18 EP disclosed
WO-2008101693-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS BEIERSDORF AG (DE) 2008-08-28 WO disclosed