SCHEMBL7017254

SCHEMBL7017254

C#C[C@H](CC(=O)OC(=O)C(F)(F)F)NS(=O)(=O)c1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.46
ITGAV P06756 14/20 0.46
ITGA2B P08514 5/20 0.46
ITGB1 P05556 7/20 0.42
ITGA5 P08648 5/20 0.42
ITGB5 P18084 3/20 0.39
ITGB6 P18564 2/20 0.39
F2 P00734 1/20 0.39
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6801502 0.89 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6771727 0.87 ITGB1 (0.48) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6768527 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6774218 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6769604 0.77 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6772892 0.77 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6768513 0.76 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6773136 0.75 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6773294 0.75 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6772750 0.74 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGA5

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-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed