SCHEMBL5608959

SCHEMBL5608959

O=C(O)[C@H](Cc1ccc(OC(=O)N2CCSCC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.54
ITGA4 P13612 4/20 0.54
ITGB7 P26010 1/20 0.54
ITGA5 P08648 3/20 0.53
ITGAV P06756 5/20 0.48
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGA2 P17301 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNQ1 P51787 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3850695 0.92 ITGA4 (0.58) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL4423030 0.92 ITGA4 (0.58) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3858016 0.91 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3849716 0.90 CACNA1B (0.45) ITGB1ITGA4ITGB7ITGA5LMNA
SCHEMBL3852748 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL23519701 0.86 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL19678622 0.86 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL6429531 0.86 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL19661136 0.86 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL19678647 0.86 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGA5ITGAV

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-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed