SCHEMBL6021986

SCHEMBL6021986

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.49
PTPN1 P18031 1/20 0.48
CASP1 P29466 3/20 0.48
HDAC8 Q9BY41 1/20 0.47
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 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
SCHEMBL3929268 0.86 ITGB3 (0.48) EPORPTPN1CTSSCTSKALDH1A1
SCHEMBL6021993 0.84 CTSL (0.61) CASP1CTSSCTSKCTSLCTSB
SCHEMBL27677478 0.81 PPARG (0.62) CASP1ITGB3ITGA2B
SCHEMBL3917891 0.81 PPARG (0.62) CASP1ITGB3ITGA2B
SCHEMBL3930097 0.79 EPOR (0.57) EPOR
SCHEMBL6441561 0.76 ITGB3 (0.51) CASP1ALDH1A1ITGB3ITGA2B
SCHEMBL7360694 0.75 CTSS (0.63) HDAC8CTSSCTSKCTSLCTSB
SCHEMBL3929273 0.74 ITGB3 (0.47) CASP1ALDH1A1ITGB3ITGA2B
SCHEMBL29938811 0.74 CTSS (0.55) PTPN1CTSSCTSKALDH1A1CTSL
SCHEMBL29938529 0.74 CTSS (0.55) PTPN1CTSSCTSKALDH1A1CTSL

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-1725577-A1 ANTITHROMBOTIC COMPOUND Sanofi-Aventis (FR) 2006-11-29 EP disclosed
WO-2005090382-A1 ANTITHROMBOTIC COMPOUND SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed
EP-1574516-A1 Antithrombotic compound Sanofi-Aventis (FR) 2005-09-14 EP disclosed