SCHEMBL7631366

SCHEMBL7631366

[CH2]CCCOOC(=O)c1c(OC)cccc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7627460 0.95 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7627097 0.94 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7627483 0.94 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7636204 0.94 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7631245 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7635907 0.84 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7636318 0.84 MAPT (0.47) KMT2ASMN1; SMN2L3MBTL1HDAC1NPSR1
SCHEMBL7633396 0.83 HPGD (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7634384 0.81 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL7637282 0.81 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