SCHEMBL2903113

SCHEMBL2903113

COc1ncc(C(CC(=O)O)CC2CCN(C(=O)C(I)Cc3ccc4c(n3)NCCC4)C(I)C2)cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGA2B P08514 8/20 0.55
ITGB5 P18084 4/20 0.55
ITGB6 P18564 3/20 0.44

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
SCHEMBL2905059 0.91 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2962102 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2899642 0.80 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5
SCHEMBL2902444 0.74 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2921996 0.73 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5
SCHEMBL2907831 0.73 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5
SCHEMBL7676381 0.72 ITGAV (1.00) ITGB3ITGAVITGB6
SCHEMBL6536413 0.72 ITGAV (1.00) ITGB3ITGAVITGB6
SCHEMBL7458588 0.72 ITGAV (1.00) ITGB3ITGAVITGB6
SCHEMBL4251938 0.71 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB6

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-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed