SCHEMBL16223797

SCHEMBL16223797

O=C(COC1CC(CNc2ccccn2)N(OC(=O)OCc2ccccc2)C1)NCC(NC(=O)c1c(F)cccc1F)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.67
ITGA5 P08648 20/20 0.67
ITGB3 P05106 12/20 0.67
ITGAV P06756 12/20 0.67
ITGB5 P18084 8/20 0.67
ITGA2B P08514 3/20 0.59

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
SCHEMBL16223661 0.93 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223806 0.93 ITGB1 (0.73) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223676 0.92 ITGB1 (0.67) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223847 0.91 ITGB1 (0.81) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223675 0.90 ITGB1 (0.82) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561020 0.90 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453425 0.90 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223671 0.89 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223828 0.88 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL16223834 0.88 ITGB1 (0.72) 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
EP-1727811-B1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF SHIRE ORPHAN THERAPIES GMBH (DE) 2014-11-12 EP claimed