SCHEMBL4429903

SCHEMBL4429903

NC(Cc1ccc(O)cc1)C(=O)N1CC(O)CC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.56
OPRM1 P35372 6/20 0.52
SLC7A5 Q01650 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
ATM Q13315 1/20 0.46
OPRD1 P41143 2/20 0.45

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
SCHEMBL4429906 1.00 DPP4 (0.56) DPP4OPRM1SLC7A5HDAC8ATM
SCHEMBL31215088 1.00 DPP4 (0.56) DPP4OPRM1SLC7A5HDAC8ATM
SCHEMBL31210164 1.00 DPP4 (0.56) DPP4OPRM1SLC7A5HDAC8ATM
SCHEMBL4438809 0.90 DPP4 (0.56) DPP4OPRM1HDAC8
SCHEMBL3218706 0.90 DPP4 (0.56) DPP4OPRM1HDAC8
SCHEMBL4438807 0.90 DPP4 (0.56) DPP4OPRM1HDAC8
SCHEMBL29648943 0.90 DPP4 (0.56) DPP4OPRM1HDAC8
SCHEMBL30069046 0.87 DPP4 (0.55) DPP4OPRM1OPRD1
SCHEMBL28700106 0.86 DPP4 (0.59) DPP4
SCHEMBL28700103 0.86 DPP4 (0.59) DPP4

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