SCHEMBL8558009

SCHEMBL8558009

COc1ccc(CC(=O)NCCc2cc(O)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL6376716 0.92 MEN1 (0.79) CA1CA2MEN1KMT2ALMNA
SCHEMBL8559166 0.90 LMNA (0.67) CA1CA2MEN1KMT2ALMNA
SCHEMBL8556404 0.89 MEN1 (0.69) CA1CA2MEN1KMT2ALMNA
SCHEMBL2742531 0.89 CA1 (0.78) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL8558286 0.88 LMNA (0.59) CA1CA2MEN1KMT2ALMNA
SCHEMBL29389598 0.87 MEN1 (0.79) CA1CA2MEN1KMT2ALMNA
SCHEMBL6378383 0.87 MEN1 (0.79) CA1CA2MEN1KMT2ALMNA
SCHEMBL30738251 0.87 CA1 (0.79) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL248400 0.87 CA1 (0.79) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL8553751 0.86 CA1 (0.65) CA1CA2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617022-B1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMA CO LTD (JP) 1998-02-11 EP disclosed
US-5498717-A CHEMICAL INTERMEDIATES FOR PRODUCING ANTITUMOR POTENTIATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5446164-A Regioselective cyclization of phenethylamide derivative in presence of phosphoric acid halide, reducing formed compound BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 US disclosed
EP-0617022-A1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-09-28 EP disclosed