SCHEMBL4378394

SCHEMBL4378394

O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)CCCN3)n[nH]1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGAV P06756 20/20 0.59
ITGB6 P18564 15/20 0.59
ITGB5 P18084 8/20 0.59
ITGA2B P08514 6/20 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
SCHEMBL2837544 0.88 ITGB3 (0.73) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4063045 0.87 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838930 0.81 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6178863 0.79 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2841497 0.77 ITGAV (0.74) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL29207458 0.76 ITGB3 (0.62) ITGB3ITGAVITGB5
SCHEMBL15673930 0.76 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2839364 0.74 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2835442 0.74 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838713 0.74 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B

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-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed