SCHEMBL9808055

SCHEMBL9808055

COc1cc(SCCOC(=O)CCSc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HSD17B2 P37059 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 2/20 0.43
OR51E2 Q9H255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.41
MAOB P27338 1/20 0.40
TRPV1 Q8NER1 5/20 0.40

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 0.96 KDM4E (0.46) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808041 0.90 KDM4E (0.46) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808295 0.89 KDM4E (0.45) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808103 0.87 KDM4E (0.48) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808039 0.84 HSD17B2 (0.43) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808082 0.84 PKM (0.43) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL9808204 0.84 APP (0.50) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL9808190 0.81 HDAC6 (0.49) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808210 0.80 KDM4E (0.42) KDM4EPOLBHDAC6HSD17B2SLC22A6
SCHEMBL9808180 0.80 APP (0.42) POLBMEN1KMT2AALDH1A1TDP1

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