SCHEMBL5690973

SCHEMBL5690973

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)NCCc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.65
ITGA5 P08648 4/20 0.65
FKBP1A P62942 4/20 0.60
ITGA4 P13612 5/20 0.56
ALDH1A1 P00352 2/20 0.56
ITGAV P06756 4/20 0.55
ITGA2 P17301 1/20 0.55
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5690681 0.92 ITGB1 (0.64) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL6708383 0.91 ITGB1 (0.63) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL5691016 0.90 ITGB1 (0.59) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL5690234 0.88 FKBP1A (0.66) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL5690742 0.88 ITGB1 (0.71) ITGB1ITGA5ITGA4ALDH1A1ITGAV
SCHEMBL6710892 0.88 ALDH1A1 (0.70) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL27514023 0.88 ALDH1A1 (0.70) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL7066469 0.88 ALDH1A1 (0.70) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL7069740 0.88 ALDH1A1 (0.70) ITGB1ITGA5FKBP1AITGA4ALDH1A1
SCHEMBL6439213 0.88 ALDH1A1 (0.70) ITGB1ITGA5FKBP1AITGA4ALDH1A1

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 8 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
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US 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-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US disclosed
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