SCHEMBL2907973

SCHEMBL2907973

COc1ccc(C(CCC2CCN(C(=O)c3cccc(NC4=NCC(O)CN4)c3)C(I)C2)CC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.38
ITGAV P06756 19/20 0.38
ITGB6 P18564 11/20 0.38
ITGB5 P18084 7/20 0.35
ITGA2B P08514 2/20 0.35
ITGB1 P05556 7/20 0.35
ITGA5 P08648 6/20 0.35
ITGB8 P26012 6/20 0.35
ITGA8 P53708 6/20 0.35
ITGA4 P13612 1/20 0.33

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
SCHEMBL2905461 0.95 ITGB3 (0.34) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2904181 0.90 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2899754 0.84 ITGB3 (0.38) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2901789 0.82 ITGB3 (0.37) ITGB3ITGAVITGB6ITGA2B
SCHEMBL2899491 0.79 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2928710 0.77 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2906558 0.77 ITGB3 (0.41) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2925476 0.76 ITGB3 (0.42) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2906704 0.74 ITGB3 (0.38) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2925465 0.74 ITGB3 (0.41) 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 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 disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed