SCHEMBL5568077

SCHEMBL5568077

O=C(COC1CC(CNc2ccccn2)N(C(=O)O)C1)NCC(NC(=O)NCCc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.71
ITGA5 P08648 20/20 0.71
ITGB3 P05106 12/20 0.68
ITGAV P06756 12/20 0.68
ITGB5 P18084 8/20 0.65
ITGA2B P08514 4/20 0.62

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
SCHEMBL5560195 0.92 ITGB1 (0.84) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453405 0.92 ITGB1 (0.84) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568537 0.91 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5567573 0.87 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5569578 0.87 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568652 0.86 ITGB1 (0.67) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5567431 0.85 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561233 0.85 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453403 0.85 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453401 0.85 ITGB1 (0.79) 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 2 patents. 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 claimed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO disclosed