SCHEMBL9808041

SCHEMBL9808041

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HSD17B2 P37059 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.43
APP P05067 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
NFKB1 P19838 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL9808171 0.91 KDM4E (0.46) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808295 0.90 KDM4E (0.45) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808055 0.90 KDM4E (0.45) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808103 0.88 KDM4E (0.48) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808039 0.85 HSD17B2 (0.43) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808190 0.82 HDAC6 (0.49) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808210 0.81 KDM4E (0.42) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL9808250 0.80 HDAC1 (0.54) HDAC6MEN1KMT2ASLC22A6SLC22A8
SCHEMBL9808197 0.79 MAPT (0.38) POLBMEN1KMT2ATSHRHSD17B10
SCHEMBL9808182 0.77 MAPT (0.53) KDM4EPOLBHDAC6KMT2ARAB9A

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