SCHEMBL9808053

SCHEMBL9808053

O=C(CSc1ccc(O)c(O)c1)OCCSc1ccc(O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
YWHAG P61981 1/20 0.43
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN1 P18031 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL9808202 0.91 APP (0.41) APPYWHAGMAPTGAAKDM4E
SCHEMBL9808059 0.88 GAA (0.40) MAPTGAAKDM4EHTTCYP1A2
SCHEMBL9808204 0.87 APP (0.50) APPYWHAGMAPTPOLBALDH1A1
SCHEMBL9808292 0.86 BCL2L11 (0.38) MAPTGAAKDM4EALDH1A1PKM
SCHEMBL9808295 0.84 KDM4E (0.45) MAPTGAAKDM4EPOLBALDH1A1
SCHEMBL9808029 0.83 MEN1 (0.39) MAPTGAAKDM4EPOLBHTT
SCHEMBL9808040 0.83 MEN1 (0.39) MAPTGAAKDM4EPOLBHTT
SCHEMBL3759191 0.81 HSP90AA1 (0.44) MAPTGAAPOLBALDH1A1PKM
SCHEMBL9808284 0.81 ATM (0.38) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL9808022 0.81 GABRA1 (0.44) MAPTGAAPOLBALDH1A1HTT

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