SCHEMBL7609879

SCHEMBL7609879

O=C(O)C[C@H](Nc1ccc(N[C@@H](CC(=O)O)C(=O)O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
PKLR P30613 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MME P08473 1/20 0.41
CA4 P22748 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
PPARG P37231 1/20 0.38
CPA1 P15085 2/20 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
SCHEMBL7616173 1.00 ITGB3 (0.49) ITGB3ITGA2BCA2CA1GAA
SCHEMBL1226633 0.92 ITGB3 (0.45) ITGB3ITGA2BCA2CA1GAA
SCHEMBL10349864 0.92 ITGB3 (0.50) ITGB3ITGA2BGAAMAPTPKLR
SCHEMBL7358881 0.91 ITGB3 (0.50) ITGB3ITGA2BCA2CA1GAA
SCHEMBL4829872 0.91 ITGB3 (0.47) ITGB3ITGA2BCA2CA1GAA
SCHEMBL18360377 0.91 MAPT (0.46) ITGB3ITGA2BCA2CA1GAA
SCHEMBL7358892 0.91 ITGB3 (0.50) ITGB3ITGA2BCA2CA1GAA
SCHEMBL8127010 0.91 FOLH1 (0.45) ITGB3ITGA2BCA2CA1GAA
SCHEMBL28330127 0.87 ITGB3 (0.41) ITGB3ITGA2BCA2CA1GAA
SCHEMBL12541330 0.87 BCHE (0.46) ITGB3ITGA2BGAAMAPTPKLR

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
EP-0805211-B1 Process for producing optically active aminopolycarboxylic acid MITSUBISHI RAYON CO (JP) 2002-10-02 EP claimed
US-5981238-A REACTING A DIAMINE AND FUMARIC ACID USING MICROORGANISM OR EXTRACT HAVING LYASE ACTIVITY; PRESENCE OF ALKALINE EARTH METAL, IRON, ZINC, COPPER, NICKEL, ALUMINUM, TITANIUM OR MANGANESE IONS INCREASES YIELD BY FORMING STABLE COMPLEXES MITSUBISHI RAYON CO., LTD. (JP) 1999-11-09 US claimed
EP-0805211-A2 Process for producing optically active aminopolycarboxylic acid NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-11-05 EP claimed