SCHEMBL5690347

SCHEMBL5690347

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCCC3)cc2)C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.75
ITGB1 P05556 8/20 0.60
ITGA5 P08648 3/20 0.60
ALDH1A1 P00352 1/20 0.57
ITGAV P06756 2/20 0.54
FKBP1A P62942 1/20 0.52
ITGA2 P17301 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ITGB7 P26010 1/20 0.51
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4556889 0.94 ITGA4 (0.77) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6714530 0.90 ITGA4 (0.66) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7066469 0.89 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6439213 0.89 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6710892 0.89 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7069740 0.89 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL27514023 0.89 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7314347 0.89 ITGB1 (0.67) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6710526 0.89 ITGA4 (0.65) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6708292 0.89 ITGA4 (0.65) ITGA4ITGB1ITGA5ALDH1A1ITGAV

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-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed