SCHEMBL2929751

SCHEMBL2929751

CCCC(F)OC(=O)C(Cc1ccc(OC(=O)N(C)C)cc1)Nc1nc(N(CC)CC)ncc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.53
ITGA4 P13612 20/20 0.53
ITGB7 P26010 11/20 0.51

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
SCHEMBL5511419 0.88 ITGB1 (0.56) ITGB1ITGA4ITGB7
SCHEMBL5162116 0.87 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL2770060 0.86 ITGB1 (0.56) ITGB1ITGA4ITGB7
SCHEMBL2923131 0.82 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL2927545 0.82 ITGB1 (0.52) ITGB1ITGA4ITGB7
SCHEMBL4448585 0.75 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL2608694 0.75 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL4201731 0.75 ITGB1 (0.58) ITGB1ITGA4ITGB7
SCHEMBL2847610 0.75 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL2108815 0.74 ITGA4 (0.41) ITGB1ITGA4ITGB7

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-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
EP-1635871-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
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed