SCHEMBL8901338

SCHEMBL8901338

COC(=O)c1ccc(N(C)C(=O)c2ccc(C(=O)O)cc2C(=O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSP90AA1 P07900 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
TARBP2 Q15633 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7037523 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL8900286 0.82 HSP90AA1 (0.50) KDM4EHSD17B10HSP90AA1PDK2PDK1
SCHEMBL9098471 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL820141 0.80 KDM4E (0.55) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL29699657 0.80 KDM4E (0.55) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL9096918 0.78 NOTUM (0.65) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL293611 0.78 KDM4E (0.55) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL4611523 0.76 TSHR (0.63) NOTUMKDM4EALDH1A1HPGDMAPT
SCHEMBL5834949 0.76 KDM4E (0.50) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL293610 0.75 KDM4E (0.53) KDM4EALDH1A1HSD17B10GAAHPGD

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed