SCHEMBL7101076

SCHEMBL7101076

C=CC(=O)OC(C)(C)C.CCOC(C)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
STAT3 P40763 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37
MAOB P27338 1/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
BACE1 P56817 3/20 0.34
MIF P14174 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
APP P05067 1/20 0.33
TYR P14679 1/20 0.33
PTGS2 P35354 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
4-Vinylphenol SCHEMBL29130680 0.91 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL2978959 0.91 STAT3 (0.37) CA12CA1CA2CA7CA9
SCHEMBL7270951 0.88 CA12 (0.38) CA12CA1CA2CA7CA9
Acrylic Acid Methyl Ester SCHEMBL7263902 0.88 CA12 (0.44) CA12CA1CA2CA7CA9
4-Vinylphenol SCHEMBL8102577 0.88 LMNA (0.33) CA12CA1CA2CA7CA9
SCHEMBL3837576 0.86 STAT3 (0.37) CA12CA1CA2CA7CA9
SCHEMBL6843705 0.86 ELANE (0.38) CA12CA1CA2CA7CA9
SCHEMBL7103538 0.86 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL5702546 0.86 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL6551223 0.84 ABCG2 (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed