SCHEMBL9808059

SCHEMBL9808059

Cc1cc(SCCOC(=O)CSc2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL9808040 0.94 MEN1 (0.39) GAAMAPTKDM4ECYP1A2GLA
SCHEMBL9808029 0.94 MEN1 (0.39) GAAMAPTKDM4ECYP1A2GLA
SCHEMBL9808284 0.93 ATM (0.38) GAAMAPTKDM4ECYP1A2GLA
SCHEMBL9808039 0.91 HSD17B2 (0.43) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL12058772 0.89 ESR1 (0.47) KDM4EMEN1KMT2AESR1L3MBTL1
SCHEMBL9808180 0.89 APP (0.42) MAPTMEN1KMT2AESR1HTT
SCHEMBL9808082 0.88 PKM (0.43) MAPTKDM4EGLAMEN1KMT2A
SCHEMBL9808053 0.88 APP (0.43) GAAMAPTKDM4ECYP1A2GLA
SCHEMBL9808295 0.84 KDM4E (0.45) GAAMAPTKDM4ECYP1A2GLA
SCHEMBL9808292 0.84 BCL2L11 (0.38) GAAMAPTKDM4ECYP1A2GLA

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