SCHEMBL6205872

SCHEMBL6205872

COC(=O)Oc1sc(OC(=O)OC)c(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
CUL4A Q13619 2/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
XDH P47989 1/20 0.31
GFER P55789 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
FUT7 Q11130 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL6207825 0.79 HSD17B10 (0.33) HSD17B10KDM4EHPGDCUL4AMAPT
SCHEMBL3465913 0.74 HSD17B10 (0.50) HSD17B10KDM4EHPGDCUL4AMAPT
SCHEMBL3672729 0.69 KDM4E (0.37) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL10804734 0.64 HPGD (0.41) HSD17B10KDM4EHPGDMAPTKMT2A
SCHEMBL4971363 0.62
SCHEMBL20796 0.62
SCHEMBL4748477 0.62 ALDH1A1 (0.54) HSD17B10KDM4EHPGDTSHRGAA
SCHEMBL676909 0.62 KMT2A (0.58) HSD17B10KDM4EHPGDMAPTKMT2A
SCHEMBL9237989 0.62 KMT2A (0.42) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL1401584 0.60 RECQL (0.39) HSD17B10KDM4EHPGDMAPTTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298133-B1 Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters BAYER CHEMICALS AG (DE) 2005-01-19 EP claimed
EP-1298133-A1 Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters BAYER AG (DE) 2003-04-02 EP claimed
EP-1298133-B1 Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters BAYER CHEMICALS AG (DE) 2005-01-19 EP disclosed
EP-1298133-A1 Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters BAYER AG (DE) 2003-04-02 EP disclosed
EP-0628560-A1 Thiophene derivatives Agfa-Gevaert AG (DE) 1994-12-14 EP disclosed