SCHEMBL8332995

SCHEMBL8332995

CCOC(O)CC(Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.75
▸ ITGAV P06756 20/20 0.75
▸ ITGB6 P18564 18/20 0.75
▸ ITGB5 P18084 13/20 0.75
▸ ITGA2B P08514 10/20 0.58
▸ ITGB1 P05556 1/20 0.51

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
SCHEMBL6267787 0.87 ITGB3 (0.83) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2836956 0.85 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6265063 0.79 ITGB3 (0.68) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL8336926 0.79 ITGB3 (0.70) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL8326227 0.79 ITGB3 (0.68) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838879 0.77 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2833650 0.77 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2840996 0.77 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838535 0.77 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2838532 0.76 ITGB3 (0.79) 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-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 — — WO disclosed
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