SCHEMBL6207825

SCHEMBL6207825

COC(=O)Oc1sc(OC(=O)OC)c(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
CUL4A Q13619 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5238525 0.81 TPMT (0.35) HSD17B10KDM4EHPGDMAPTPTPN1
SCHEMBL3465913 0.73 HSD17B10 (0.50) HSD17B10KDM4EHPGDCUL4AMAPT
SCHEMBL3672729 0.67 KDM4E (0.37) HSD17B10KDM4EHPGDCYP1A2MAPT
SCHEMBL11075154 0.65 ALDH1A1 (0.46) HSD17B10KDM4EHPGDCYP1A2MAPT
SCHEMBL9656750 0.64 KDM4E (0.61) HSD17B10KDM4EHPGDCYP1A2CYP2C9
SCHEMBL6938651 0.64 HSD17B10 (0.47) HSD17B10KDM4EHPGDCUL4ACYP1A2
SCHEMBL1401584 0.64 RECQL (0.39) HSD17B10KDM4EHPGDCYP1A2CYP2C9
SCHEMBL8819550 0.63 HSD17B10 (0.31) HSD17B10KDM4EHPGDMAPTTSHR
SCHEMBL17972599 0.62 KDM4E (0.35) HSD17B10KDM4EHPGDCUL4ACYP1A2
SCHEMBL6836069 0.62 KMT2A (0.54) 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 2 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 disclosed
EP-1298133-A1 Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters BAYER AG (DE) 2003-04-02 EP disclosed