SCHEMBL9808103

SCHEMBL9808103

COc1cc(SCCOC(=O)OCCSc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HSD17B2 P37059 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
GAA P10253 2/20 0.45
NFKB1 P19838 2/20 0.45
HTT P42858 2/20 0.45
MAOB P27338 3/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL9808041 0.88 KDM4E (0.46) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808171 0.88 KDM4E (0.46) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808055 0.87 KDM4E (0.45) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808295 0.87 KDM4E (0.45) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808210 0.84 KDM4E (0.42) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808039 0.83 HSD17B2 (0.43) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808250 0.79 HDAC1 (0.54) HDAC6MEN1KMT2ASLC22A6SLC22A8
SCHEMBL9808190 0.79 HDAC6 (0.49) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808327 0.78 TSHR (0.41) POLBRAB9ATSHRTDP1GAA
SCHEMBL10441459 0.78 GAA (0.55) KDM4EHSD17B2MEN1KMT2ASLC22A6

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed