SCHEMBL9647142

SCHEMBL9647142

Nc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1OC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 1/20 0.49
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
AAK1 Q2M2I8 8/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CHEK1 O14757 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38

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
SCHEMBL11095158 0.82 LTA4H (0.56) LTA4H
SCHEMBL9875433 0.81 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL4242289 0.77 LTA4H (0.61) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL8590172 0.74 TDP1 (0.54)
SCHEMBL29395053 0.74 LTA4H (0.62) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL20243040 0.73 LTA4H (0.68) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL2522626 0.73 LTA4H (0.68) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL10766258 0.73 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL11038421 0.73 LTA4H (0.60) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL7902676 0.73 LTA4H (0.60) LTA4HS1PR1S1PR3MMP2MMP9

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-0113896-B2 TEST STRIPS Roche Diagnostics GmbH (DE) 1992-11-11 EP disclosed