SCHEMBL8045161

SCHEMBL8045161

C=CC(=O)OC(C)(C)C.C=CC(C)(C)OC(=O)COc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.39
STAT3 P40763 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37
MAOB P27338 1/20 0.37
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8050238 0.88 MEN1 (0.38) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL2964490 0.85 MEN1 (0.49) MEN1NPC1RAB9AKMT2APTGS2
4-Vinylphenol SCHEMBL1506510 0.84 MEN1 (0.43) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL8045214 0.83 PTGS2 (0.42) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL8661728 0.82 ABCG2 (0.55) STAT3ABCG2MAOB
SCHEMBL8053329 0.82 ABCG2 (0.39) PTGS2STAT3ABCG2MAOBHIF1A
SCHEMBL3843648 0.79 MEN1 (0.43) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL3849971 0.79 MEN1 (0.41) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL1506719 0.78 APP (0.43) MEN1RAB9AKMT2ASTAT3ABCG2
SCHEMBL5440924 0.78 MAPT (0.46) RAB9APTGS2STAT3MAOBHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed