SCHEMBL7628107

SCHEMBL7628107

[CH2]CC[C](OOC(=O)c1c(C)cccc1C)OOC(=O)c1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ELANE P08246 1/20 0.35
F2R P25116 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL7633855 0.90 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7633034 0.89 HDAC3 (0.35) CA12CA1CA2CA7CA9
SCHEMBL7633065 0.88 MEN1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL7634393 0.88 MEN1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL7625517 0.86 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL7630757 0.83 ALDH1A1 (0.34) ELANETAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL7633053 0.83 MEN1 (0.43) L3MBTL1TDP1CYP1A2TSHRLMNA
SCHEMBL7628206 0.82 MEN1 (0.41) L3MBTL1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL1044586 0.82 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7633499 0.81 CA12 (0.34) 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