SCHEMBL8558637

SCHEMBL8558637

COc1cc(CC(=O)NCCc2cc(O)c(OC)c(OC)c2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
POLB P06746 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
CNR1 P21554 2/20 0.46
CA12 O43570 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8559166 0.92 LMNA (0.67) LMNAKMT2AMEN1CA1CA2
SCHEMBL8556404 0.89 MEN1 (0.69) LMNAKMT2AMEN1CA1CA2
SCHEMBL8553751 0.89 CA1 (0.65) LMNAKMT2AMEN1CA1CA2
SCHEMBL8558009 0.85 CA1 (0.69) LMNAKMT2AMEN1CA1CA2
SCHEMBL8556958 0.84 MEN1 (0.58) LMNAKMT2AMEN1CA1CA2
SCHEMBL8558286 0.83 LMNA (0.59) LMNAKMT2AMEN1CA1CA2
SCHEMBL8559148 0.81 MEN1 (0.62) LMNAKMT2AMEN1
SCHEMBL6376510 0.81 CA1 (0.67) KMT2AMEN1CA1CA2POLB
SCHEMBL8557569 0.81 MEN1 (0.86) LMNAKMT2AMEN1POLBALDH1A1
SCHEMBL8558635 0.81 TAAR1 (0.70) LMNAKMT2AMEN1POLBALDH1A1

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