SCHEMBL5690691

SCHEMBL5690691

COC(=O)[C@H](Cc1ccc(NC(=S)NCCc2ccccc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.56
ITGB1 P05556 4/20 0.55
ITGA5 P08648 3/20 0.55
ITGA4 P13612 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ITGAV P06756 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGA2 P17301 1/20 0.47

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
SCHEMBL5690293 0.96 FKBP1A (0.63) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690681 0.93 ITGB1 (0.64) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690857 0.93 ITGB1 (0.56) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690603 0.90 ITGA4 (0.57) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690234 0.89 FKBP1A (0.66) FKBP1AITGB1ITGA5ITGA4ALDH1A1
SCHEMBL5690892 0.86 ITGA4 (0.54) FKBP1AITGB1ITGA5ITGA4MAPK1
SCHEMBL5690610 0.86 ITGA4 (0.49) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690625 0.86 MAPK1 (0.66) ITGB1ITGA5ITGA4MAPK1TSHR
SCHEMBL5691821 0.86 ITGB1 (0.65) FKBP1AITGB1ITGA5ITGA4MMP2
SCHEMBL5690973 0.86 ITGB1 (0.65) FKBP1AITGB1ITGA5ITGA4MAPK1

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 7 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-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