SCHEMBL9698993

SCHEMBL9698993

CCn1ccc(=O)c(O)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DOHH Q9BU89 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM6A O15550 1/20 0.41
KDM4A O75164 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM5C P41229 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
COMT P21964 2/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APP P05067 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9701454 0.84 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL868431 0.82 KDM4E (0.47) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8612707 0.81 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9700190 0.79 KDM4E (0.56) KDM4ETP53CYP2D6HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6998644 0.79 KDM4E (0.45) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL13555547 0.78 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8129400 0.78 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6199498 0.78 KDM4E (0.59) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.77 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9701411 0.77 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012131-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-07-23 WO disclosed
EP-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP disclosed