SCHEMBL2961386

SCHEMBL2961386

CCCCOC(=O)C(Cc1ccc(OC(=O)N(C)C)cc1)c1nc(N(CC)CC)ncc1NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.51
ITGA4 P13612 20/20 0.51
ITGB7 P26010 11/20 0.48

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
SCHEMBL4448738 0.89 ITGB1 (0.56) ITGB1ITGA4ITGB7
SCHEMBL2770740 0.88 ITGB1 (0.51) ITGB1ITGA4ITGB7
SCHEMBL4448585 0.78 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL2608696 0.77 ITGB1 (0.57) ITGB1ITGA4ITGB7
SCHEMBL2929216 0.74 ITGB1 (0.51) ITGB1ITGA4ITGB7
SCHEMBL4445947 0.71 ITGB1 (0.55) ITGB1ITGA4ITGB7
SCHEMBL2608698 0.69 ITGB1 (0.56) ITGB1ITGA4ITGB7
SCHEMBL2929891 0.69 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL2608695 0.68 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL2768840 0.68 ITGB1 (0.59) 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 2 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
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed