SCHEMBL9534748

SCHEMBL9534748

CCOC(=O)c1ccc(-c2cccc3ccccc23)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.54
MCL1 Q07820 1/20 0.54
ACMSD Q8TDX5 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
CCR6 P51684 1/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL9999709 0.82 CA12 (0.60) CDC25BMCL1ACMSDCA12CA1
SCHEMBL291900 0.81 CDC25B (0.62) CDC25BCDC25ACDC25CCCR6ALDH1A1
SCHEMBL2129231 0.81 CDC25B (0.62) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL28004714 0.80 CDC25B (0.61) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL13247931 0.80 HDAC8 (0.56) CDC25BCA12CA1CA2CA7
SCHEMBL3303798 0.79 CA12 (0.64) ACMSDCA12CA1CA2CA7
SCHEMBL9534579 0.79 MCL1 (0.78) MCL1ACMSDALDH1A1MEN1KMT2A
SCHEMBL4072424 0.79 CDC25B (0.68) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL18428555 0.78 CDC25B (0.67) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL6754531 0.77 KDM4E (0.46) CDC25BCDC25ACDC25CCCR6ALDH1A1

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 4 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
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