SCHEMBL5690351

SCHEMBL5690351

O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)C(=O)O)cc1)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.58
ITGA5 P08648 4/20 0.58
ITGA4 P13612 2/20 0.51
FKBP1A P62942 3/20 0.48
ITGAV P06756 6/20 0.48
CCR4 P51679 1/20 0.47
ITGB7 P26010 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7070239 0.86 FKBP1A (0.61) ITGB1ITGA5ITGA4FKBP1ACCR4
SCHEMBL5690343 0.85 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGAVMAPT
SCHEMBL5690462 0.83 ITGB1 (0.63) ITGB1ITGA5ITGA4ITGAVITGB7
SCHEMBL5691025 0.83 ITGB1 (0.63) ITGB1ITGA5ITGA4ITGAVITGB7
SCHEMBL5691033 0.81 ITGB1 (0.58) ITGB1ITGA5ITGA4ITGAVITGB7
SCHEMBL7707493 0.79 ITGB1 (0.60) ITGB1ITGA5ITGA4FKBP1AITGB7
SCHEMBL6429533 0.78 ITGB1 (0.52) ITGB1ITGA5ITGA4FKBP1AITGAV
SCHEMBL5690244 0.78 ALDH1A1 (0.56) ITGB1ITGA5ITGA4FKBP1AITGAV
SCHEMBL5691845 0.78 MAPT (0.50) ITGB1ITGA5MAPT
SCHEMBL27565203 0.77 ITGB1 (0.63) ITGB1ITGA5ITGA4FKBP1AITGAV

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 1 patent. 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