SCHEMBL7623937

SCHEMBL7623937

Cc1cccc(C)c1C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c1c(C)cccc1C)C(COC(=O)OOC(=O)c1c(C)cccc1C)C(CCOC(=O)OOC(=O)c1c(C)cccc1C)COC(=O)OOC(=O)c1c(C)cccc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL7625414 0.97 CA12 (0.32) CA12CA1CA2CA7CA9
SCHEMBL7632205 0.93 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7625735 0.87 ALDH1A1 (0.31)
SCHEMBL7635503 0.86 KMT2A (0.39) TDP1
SCHEMBL7636205 0.86 ADRB2 (0.41) CA2TDP1
SCHEMBL7633087 0.85 CA2 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7634217 0.85 L3MBTL1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL7632061 0.85 ALDH1A1 (0.31)
SCHEMBL7631218 0.84 KMT2A (0.39) TDP1
SCHEMBL7630032 0.84 ADRB2 (0.41) CA2TDP1

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