SCHEMBL2928429

SCHEMBL2928429

COC(=O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc(OCCOCCOCCS)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGA2B P08514 14/20 0.64
ITGB5 P18084 8/20 0.64
ITGB6 P18564 1/20 0.48
ITGB8 P26012 1/20 0.48

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
SCHEMBL2926952 1.00 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2926296 0.95 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2899798 0.94 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2926893 0.94 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2902160 0.94 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2919048 0.93 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2928843 0.93 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2925244 0.89 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2927247 0.89 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2902449 0.88 ITGB3 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
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