SCHEMBL2740246

SCHEMBL2740246

C[C@H](NC(=O)C(N)CN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
DPP4 P27487 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 1/20 0.45
SLC7A5 Q01650 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
LTA4H P09960 5/20 0.39
ANPEP P15144 1/20 0.36
ECE1 P42892 1/20 0.36

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
SCHEMBL2739541 1.00 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2739540 1.00 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2739567 1.00 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2739566 1.00 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL12966380 0.96 MME (0.44) MMEACECPA1ACE2DPP4
SCHEMBL23030200 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL29531322 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL21748461 0.83 MME (0.56) MMEACECPA1ACE2DPP4
SCHEMBL30781147 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL5841680 0.83 MME (0.47) MMEACECPA1ACE2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 EP disclosed
EP-0984959-A4 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO CO (US) 2001-05-02 EP disclosed
EP-0984959-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-15 EP disclosed
WO-1998039326-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed
US-4923965-A MICROBIOCIDES, FUNGICIDES POLITECHNIKA GDANSKA (PL) 1990-05-08 US disclosed