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SCHEMBL5568305

SCHEMBL5568305

CC(C)(C)OC(=O)C(N)CNC(=O)COC1CC(CN(C(=O)OC(C)(C)C)c2ccccn2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 19/20 0.51
▸ ITGA5 P08648 19/20 0.51
▸ ITGB3 P05106 13/20 0.51
▸ ITGAV P06756 13/20 0.51
▸ ITGB5 P18084 9/20 0.49
▸ ITGA2B P08514 4/20 0.49
▸ ABCB1 P08183 1/20 0.43

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
SCHEMBL5568643 1.00 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453497 1.00 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5565780 1.00 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5565775 1.00 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5566433 0.86 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453495 0.85 ITGB1 (0.56) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL15152613 0.79 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5566425 0.79 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453408 0.76 ITGB1 (0.77) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5560782 0.76 ITGB1 (0.77) ITGB1ITGA5ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 — — WO disclosed