SCHEMBL4445947

SCHEMBL4445947

CCCCOC(=O)C(Cc1ccc(OC(=O)N(C)C)cc1)Nc1nc(N(CC)CC)ncc1N(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.55
ITGA4 P13612 20/20 0.55
ITGB7 P26010 18/20 0.55
ITGAV P06756 1/20 0.55

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
SCHEMBL2769873 0.91 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2770786 0.90 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGAV
Hydrochloric Acid SCHEMBL2769221 0.90 ITGB1 (0.63) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2927545 0.90 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2929216 0.87 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2769258 0.85 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2770862 0.84 ITGB1 (0.61) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2769577 0.84 ITGB1 (0.69) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2770949 0.84 ITGB1 (0.69) ITGB1ITGA4ITGB7ITGAV
SCHEMBL6038572 0.84 ITGB1 (0.60) ITGB1ITGA4ITGB7ITGAV

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-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