SCHEMBL4440592

SCHEMBL4440592

NCC(=O)N1CC(O)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ACE P12821 3/20 0.41
MME P08473 1/20 0.39
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP9 Q86TI2 5/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
VHL P40337 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8342634 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL4440586 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL29570285 0.93 ATM (0.53) ATMACEMMEDPP4DPP8
SCHEMBL29647973 0.93 ATM (0.53) ATMACEMMEDPP4DPP8
SCHEMBL30448508 0.93 ATM (0.53) ATMACEMMEDPP4DPP8
SCHEMBL24054658 0.93 ATM (0.53) ATMACEMMEDPP4DPP8
SCHEMBL29430243 0.86 ATM (0.56) ATMACEMMEDPP4DPP8
SCHEMBL10215042 0.85 ATM (0.42) ATMDPP4DPP8DPP9PREP
SCHEMBL26566934 0.84 ATM (0.44) ATMACEDPP4DPP8DPP9
SCHEMBL6933807 0.83 ATM (0.61) ATMACEMMEDPP4DPP8

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
CN-114678122-A Cancer risk prediction method, system, device and medium 上海市第十人民医院 2022-06-28 CN claimed
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