SCHEMBL9701454

SCHEMBL9701454

CCn1ccc(=O)c(O)c1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM6A O15550 1/20 0.39
KDM4A O75164 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM5C P41229 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
DOHH Q9BU89 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
COMT P21964 2/20 0.37
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
KEAP1 Q14145 1/20 0.34
HSPA1A P0DMV8 1/20 0.34

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
SCHEMBL9698993 0.84 KDM4E (0.46) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL8129400 0.82 KDM4E (0.44) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL9700172 0.81 KDM4E (0.53) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL868431 0.80 KDM4E (0.47) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL5512663 0.78 MAPT (0.44) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL13555547 0.76 KDM4E (0.44) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL6199498 0.75 KDM4E (0.59) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL5525055 0.74 KDM4E (0.62) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL9701411 0.74 KDM4E (0.46) KDM4EHTTTP53CYP2D6SMN1; SMN2
SCHEMBL3686713 0.74 KDM4E (0.58) KDM4EHTTTP53CYP2D6SMN1; SMN2

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
EP-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP disclosed