SCHEMBL8053329

SCHEMBL8053329

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
STAT3 P40763 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL8045214 0.90 PTGS2 (0.42) ABCG2MAOBCA12CA1CA2
SCHEMBL8050238 0.90 MEN1 (0.38) ABCG2MAOBHIF1AEPAS1PTGS2
SCHEMBL3843648 0.82 MEN1 (0.43) ABCG2MAOBGAAL3MBTL1PTGS2
SCHEMBL8048204 0.82 NPSR1 (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL8045161 0.82 MEN1 (0.39) ABCG2MAOBCA12CA1CA2
SCHEMBL8035524 0.80 ABCG2 (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL2964490 0.77 MEN1 (0.49) ABCG2MAOBGAAL3MBTL1PTGS2
SCHEMBL2707013 0.76 CA12 (0.51) MAOBCA12CA1CA2CA7
SCHEMBL8053110 0.74 ABCG2 (0.44) ABCG2MAOBSMN1; SMN2MAPTLMNA
SCHEMBL4869092 0.73 MEN1 (0.38) ABCG2MAOBGAAL3MBTL1HIF1A

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