SCHEMBL4449777

SCHEMBL4449777

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N3CCNCC3C(=O)OC(C)(C)C)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.47
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
ITGB1 P05556 3/20 0.44
ITGB7 P26010 1/20 0.44
CACNA1B Q00975 5/20 0.42
CASP3 P42574 1/20 0.42
ITGA5 P08648 2/20 0.41
MCL1 Q07820 3/20 0.41
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
FKBP1A P62942 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL7205739 0.97 ITGA4 (0.49) ITGA4MC4RMC5RITGB1ITGB7
SCHEMBL4455548 0.95 ITGA4 (0.52) ITGA4MC4RMC5RITGB1ITGB7
SCHEMBL3850688 0.89 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3849746 0.89 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3852367 0.87 ITGA4 (0.50) ITGA4ITGB1ITGB7CACNA1BCASP3
SCHEMBL3857921 0.86 ITGA4 (0.54) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3848814 0.85 ITGA4 (0.53) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3854111 0.84 ITGA4 (0.53) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL4458055 0.84 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL4431680 0.84 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BITGA5

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 6 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 claimed
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 claimed
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 claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed