SCHEMBL16622153

SCHEMBL16622153

CCC1=CC(=O)C(CC2=CC(=O)C(CC3=CC(=O)C(CC4=CC(=O)C(CC5=CC(=O)C(C)=CC5=O)=CC4=O)=CC3=O)=CC2=O)=CC1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.55
EEF2K O00418 1/20 0.39
PLK1 P53350 1/20 0.39
PLK2 Q9NYY3 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
SCHEMBL9655273 0.93 STAT3 (0.61) STAT3EEF2KPLK1PLK2
SCHEMBL10868487 0.81 STAT3 (0.42) STAT3
SCHEMBL6449611 0.76 STAT3 (0.69) STAT3EEF2KPLK1PLK2
SCHEMBL3968141 0.73 STAT3 (0.59) STAT3EEF2KPLK1PLK2
SCHEMBL15396944 0.72 STAT3 (0.77) STAT3EEF2KPLK1PLK2
P-Xyloquinone SCHEMBL49964 0.72 PLK1 (0.60) STAT3EEF2KPLK1PLK2
SCHEMBL10701770 0.69 STAT3 (0.85) STAT3
SCHEMBL6207447 0.68 XIAP (0.47) STAT3
SCHEMBL13804758 0.68 MEN1 (0.37) STAT3
SCHEMBL11229232 0.65 ERBB2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000224-B1 Process for the preparation of pillar[5]quinone COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-07 US disclosed