SCHEMBL4422994

SCHEMBL4422994

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.64
ITGB1 P05556 9/20 0.52
ITGB7 P26010 2/20 0.52
ITGA5 P08648 3/20 0.51
ALDH1A1 P00352 1/20 0.48
ITGAV P06756 3/20 0.47
ITGA2 P17301 1/20 0.45
FKBP1A P62942 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
KCNQ1 P51787 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP3A4 P08684 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
SCHEMBL3852211 0.92 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3849600 0.91 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL4451795 0.91 ITGA4 (0.56) ITGA4ITGB1ITGB7ITGA5FKBP1A
SCHEMBL4415640 0.91 ITGA4 (0.59) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL4421854 0.89 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3857243 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3848377 0.88 ITGA4 (0.60) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3850695 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3849687 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL4423030 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592387-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-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed