SCHEMBL4628371

SCHEMBL4628371

COc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c(OC(=O)CCl)c2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.60
MET P08581 1/20 0.60
NQO2 P16083 1/20 0.60
FECH P22830 1/20 0.60
CLK3 P49761 1/20 0.60
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
TOP2A P11388 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL1634033 1.00 PLK1 (0.60) PLK1METNQO2FECHCLK3
SCHEMBL1635551 0.90 PLK1 (0.61) PLK1METNQO2FECHCLK3
SCHEMBL1635483 0.89 PLK1 (0.60) PLK1METNQO2FECHCLK3
SCHEMBL1635487 0.89 PLK1 (0.60) PLK1METNQO2FECHCLK3
SCHEMBL1634755 0.89 PLK1 (0.66) PLK1METNQO2FECHCLK3
SCHEMBL1634753 0.89 PLK1 (0.66) PLK1METNQO2FECHCLK3
SCHEMBL1636653 0.89 PLK1 (0.57) PLK1METNQO2FECHCLK3
SCHEMBL1634657 0.88 PLK1 (0.59) PLK1METNQO2FECHCLK3
SCHEMBL1634359 0.88 PLK1 (0.68) PLK1METNQO2FECHCLK3
SCHEMBL1634363 0.88 PLK1 (0.62) PLK1METNQO2FECHCLK3

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-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP claimed
JP-2007529530-A 2007-10-25 JP claimed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP claimed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 WO claimed