SCHEMBL9808039

SCHEMBL9808039

COc1cc(SCCOC(=O)CSc2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL9808295 0.95 KDM4E (0.45) HSD17B2MAPTGAAKDM4EPOLB
SCHEMBL9808059 0.91 GAA (0.40) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9808190 0.87 HDAC6 (0.49) HSD17B2MAPTGAAKDM4EPOLB
SCHEMBL9808040 0.86 MEN1 (0.39) MAPTGAAKDM4EPOLBMEN1
SCHEMBL9808029 0.86 MEN1 (0.39) MAPTGAAKDM4EPOLBMEN1
SCHEMBL9808041 0.85 KDM4E (0.46) HSD17B2MAPTGAAKDM4EPOLB
SCHEMBL9808171 0.85 KDM4E (0.46) HSD17B2MAPTGAAKDM4EPOLB
SCHEMBL9808284 0.84 ATM (0.38) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9808055 0.84 KDM4E (0.45) HSD17B2GAAKDM4EPOLBHDAC6
SCHEMBL9808103 0.83 KDM4E (0.48) HSD17B2MAPTGAAKDM4EPOLB

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed