SCHEMBL9533834

SCHEMBL9533834

CCOC(=O)C(=O)c1ccc(-c2cccc3ccccc23)nc1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CD274 Q9NZQ7 13/20 0.51
PDCD1 Q15116 3/20 0.51
PDCD1LG2 Q9BQ51 10/20 0.43
CDC25B P30305 2/20 0.41
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9538604 0.87 CD274 (0.45) ALDH1A1HPGDKDM4ECD274PDCD1
SCHEMBL9535007 0.79 MEN1 (0.50) ALDH1A1HPGDKDM4ECD274PDCD1
SCHEMBL20718975 0.78 CD274 (0.39) ALDH1A1HPGDKDM4ECD274PDCD1
SCHEMBL9537485 0.78 CD274 (0.47) ALDH1A1HPGDKDM4ECD274PDCD1
SCHEMBL9537527 0.78 CD274 (0.47) ALDH1A1HPGDKDM4ECD274PDCD1
SCHEMBL697232 0.75 CDC25B (0.63) ALDH1A1HPGDKDM4ECDC25BCDC25A
SCHEMBL11342375 0.73 PRNP (0.47) ALDH1A1HPGDKDM4ECDC25BCDC25A
SCHEMBL9536899 0.73 CDC25B (0.42) ALDH1A1HPGDKDM4ECDC25BCDC25A
SCHEMBL18070733 0.73 CDC25B (0.49) ALDH1A1HPGDKDM4ECDC25BCDC25A
SCHEMBL27473924 0.71 MAPT (0.47) ALDH1A1HPGDKDM4ECD274PDCD1

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