SCHEMBL16229288

SCHEMBL16229288

B=C(O)[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C(=O)OCc2ccccc2)C1)NC(=O)c1c(F)cccc1F

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.75
ITGA5 P08648 20/20 0.75
ITGB3 P05106 14/20 0.75
ITGAV P06756 14/20 0.75
ITGB5 P18084 9/20 0.74
ITGA2B P08514 4/20 0.67

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
SCHEMBL14453425 0.95 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561020 0.95 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561284 0.88 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453421 0.88 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453417 0.87 ITGB1 (0.90) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561134 0.87 ITGB1 (0.90) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453424 0.87 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5560765 0.87 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5560796 0.86 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453396 0.86 ITGB1 (1.00) 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 disclosed