SCHEMBL6441561

SCHEMBL6441561

C=CCOC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(OCCOCCOCCOCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
PPARG P37231 4/20 0.44
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR34 Q9UPC5 1/20 0.41

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
SCHEMBL6021991 0.85 ITGB3 (0.55) ITGB3ITGA2BALDH1A1
SCHEMBL6440314 0.85 ITGB3 (0.55) ITGB3ITGA2BALDH1A1
SCHEMBL27677478 0.82 PPARG (0.62) ITGB3ITGA2BPPARGCASP1GPR34
SCHEMBL3917891 0.82 PPARG (0.62) ITGB3ITGA2BPPARGCASP1GPR34
SCHEMBL3929273 0.81 ITGB3 (0.47) ITGB3ITGA2BPPARGCASP1ALDH1A1
SCHEMBL3929268 0.77 ITGB3 (0.48) ITGB3ITGA2BPPARGALDH1A1
SCHEMBL6021986 0.76 EPOR (0.49) ITGB3ITGA2BCASP1ALDH1A1
SCHEMBL10884777 0.72 ALDH1A1 (0.63) ITGB3ITGA2BCASP1ALDH1A1
SCHEMBL2966988 0.72 ALDH1A1 (0.63) ITGB3ITGA2BCASP1ALDH1A1
SCHEMBL2977396 0.72 ALDH1A1 (0.63) ITGB3ITGA2BCASP1ALDH1A1

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
EP-1574516-A1 Antithrombotic compound Sanofi-Aventis (FR) 2005-09-14 EP disclosed