SCHEMBL4458134

SCHEMBL4458134

Cc1nc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N3CCN(c4ccccn4)CC3)cc2)C(=O)OC(C)C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.42
ITGA4 P13612 7/20 0.42
ITGB7 P26010 5/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MMP1 P03956 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGA5 P08648 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3850851 0.93 ALDH1A1 (0.43) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL4449815 0.92 ITGB1 (0.48) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL4412675 0.90 KDM4E (0.40) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL3859141 0.89 KDM4E (0.41) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL3849845 0.89 ITGA4 (0.49) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL3850854 0.88 ALDH1A1 (0.42) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL3853210 0.88 ALDH1A1 (0.42) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL7610059 0.87 KDM4E (0.43) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL3850465 0.87 ITGB1 (0.43) ITGB1ITGA4ITGB7ALDH1A1KDM4E
SCHEMBL7390739 0.82 ITGA4 (0.43) ITGB1ITGA4ITGB7ITGA5

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-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
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
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