SCHEMBL4556889

SCHEMBL4556889

Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(C)CC3)cc2)C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.77
ITGB1 P05556 8/20 0.58
ITGA5 P08648 3/20 0.58
ALDH1A1 P00352 1/20 0.54
ITGAV P06756 2/20 0.52
FKBP1A P62942 1/20 0.50
ITGA2 P17301 1/20 0.50
ITGB7 P26010 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL5690347 0.94 ITGA4 (0.75) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL3860100 0.88 ITGA4 (0.67) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7163529 0.88 ITGA4 (0.67) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6714530 0.87 ITGA4 (0.66) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7069740 0.87 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL7066469 0.87 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL27514023 0.87 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6710892 0.87 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL6439213 0.87 ALDH1A1 (0.70) ITGA4ITGB1ITGA5ALDH1A1ITGAV
SCHEMBL5690845 0.86 ITGB1 (0.63) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942161-B Compositions and treatments for demyelinating diseases and paralysis by administration of remyelinating drugs ELAN PHARM INC 2012-05-30 CN disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
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
CN-1942161-A Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents ELAN PHARM INC (US) 2007-04-04 CN disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 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-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO 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