SCHEMBL2901710

SCHEMBL2901710

O=C(O)CC(c1cnc2c(c1)CCCC2)C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)C(I)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.63
ITGAV P06756 20/20 0.63
ITGA2B P08514 11/20 0.63
ITGB5 P18084 8/20 0.63
ITGB6 P18564 1/20 0.47
ITGB8 P26012 1/20 0.47

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
SCHEMBL2906767 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2BITGB5
SCHEMBL2907831 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5
SCHEMBL2902299 0.89 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB5
SCHEMBL2904902 0.80 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB5
SCHEMBL2929333 0.77 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5
SCHEMBL2899485 0.75 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3684841 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5
SCHEMBL6420772 0.74 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6420768 0.74 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL2900037 0.73 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB5

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 4 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
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