SCHEMBL9448685

SCHEMBL9448685

NN[C@@H](CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MMP9 P14780 1/20 0.49
CASP1 P29466 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ABCB1 P08183 1/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13412924 0.88 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL13936459 0.84 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL17995311 0.84 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL24633781 0.84 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL16446118 0.84 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL23901564 0.84 ALDH1A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL21555767 0.83 ALDH1A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL14655692 0.83 ALDH1A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL28777999 0.83 ALDH1A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL2912589 0.83 CASP1 (0.60) ALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1309702-C Synthesis method of kynureninase specificity inhibitor-L-methoxybenzoyl alanine SHANGHAI INST ORGANIC CHEM (CN) 2007-04-11 CN disclosed
CN-1752068-A The synthetic method of the specific inhibitor L-O-methoxy benzoyl L-Ala of kynureninase SHANGHAI INST ORGANIC CHEM (CN) 2006-03-29 CN disclosed
CN-1752068-A The synthetic method of the specific inhibitor L-O-methoxy benzoyl L-Ala of kynureninase SHANGHAI INST ORGANIC CHEM (CN) 2006-03-29 CN disclosed
US-5258398-A Anticoagulants; platelet aggregation inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-11-02 US disclosed