SCHEMBL7103795

SCHEMBL7103795

NC(=O)C[C@H](NCCOS(=O)(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TGFBR1 P36897 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
GGT1 P19440 1/20 0.32
FOLH1 Q04609 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7105092 0.87 FNTA (0.37) CA2CA1FNTAFNTB
SCHEMBL7105125 0.80 FNTA (0.34) FNTAFNTBGGT1
SCHEMBL7105130 0.80 FNTA (0.34) FNTAFNTBGGT1
SCHEMBL27447888 0.78 CA2 (0.40) ECE1CA2CA1ITGB2ICAM1
SCHEMBL29174097 0.78 CA2 (0.40) ECE1CA2CA1ITGB2ICAM1
SCHEMBL7100307 0.77 FOLH1 (0.44) CA2CA1FNTAFNTBFOLH1
SCHEMBL7103356 0.77 CA2 (0.35) ECE1CA2CA1ITGB2ICAM1
SCHEMBL1226547 0.73 ECE1 (0.41) ECE1CA2CA1ITGB2ICAM1
SCHEMBL27650327 0.73 GGT1 (0.55) ECE1CA2CA1ITGB2ICAM1
SCHEMBL1226550 0.73 ECE1 (0.41) ECE1CA2CA1ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045827-B1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AG (DE) 2003-09-10 EP claimed
JP-2002500212-A 2002-01-08 JP claimed
EP-1045827-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-10-25 EP claimed
WO-1999035121-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-07-15 WO claimed
EP-1045827-B1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AG (DE) 2003-09-10 EP disclosed
EP-1045827-B1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AG (DE) 2003-09-10 EP disclosed
EP-1045827-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-10-25 EP disclosed
EP-1045827-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-10-25 EP disclosed
WO-1999035121-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-07-15 WO disclosed
WO-1999035121-A1 METHOD FOR PRODUCING (S,S)-N,N'-ETHYLENEDIAMINE DISUCCINIC ACID, ANALOGOUS COMPOUNDS OR SALTS THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-07-15 WO disclosed