SCHEMBL7637282

SCHEMBL7637282

[CH2]CCC[C](OOC(=O)c1c(OC)cccc1OC)OOC(=O)c1c(OC)cccc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7627928 0.96 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7632911 0.94 HDAC1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7635782 0.94 HDAC1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7628933 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7625797 0.84 MAPT (0.46) HDAC1KMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL7633855 0.82 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7631366 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7629293 0.80 HDAC8 (0.46) HDAC1KMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL7627008 0.80 POLB (0.47) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7632430 0.79 CA12 (0.45) CA12CA1CA2CA7CA9

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed