SCHEMBL9536899

SCHEMBL9536899

CCOC(=O)C(=O)c1ccc(-c2cccc3ccccc23)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.42
MDM2 Q00987 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
GSK3B P49841 1/20 0.40
ADK P55263 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL9536983 0.81 KDM4E (0.45) CDC25BKDM4EALDH1A1HPGDGSK3B
SCHEMBL9535021 0.79 GSK3B (0.47) KDM4EALDH1A1HPGDGSK3BADK
SCHEMBL9754384 0.78 KDM4E (0.59) CDC25BKDM4EALDH1A1HPGDGAA
SCHEMBL697232 0.76 CDC25B (0.63) CDC25BKDM4EALDH1A1HPGDCDC25A
SCHEMBL9534911 0.76 ALDH1A1 (0.40) CDC25BKDM4EALDH1A1HPGDGSK3B
SCHEMBL18070733 0.74 CDC25B (0.49) CDC25BKDM4EALDH1A1HPGDCDC25A
SCHEMBL9533834 0.73 ALDH1A1 (0.52) CDC25BKDM4EALDH1A1HPGDCDC25A
SCHEMBL11342375 0.71 PRNP (0.47) CDC25BKDM4EALDH1A1HPGDCDC25A
SCHEMBL9754618 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDGSK3BADK
SCHEMBL2129231 0.70 CDC25B (0.62) CDC25BFNTAFNTBKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed