SCHEMBL8553751

SCHEMBL8553751

COc1cccc(CC(=O)NCCc2cc(O)c(OC)c(OC)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL8558637 0.89 LMNA (0.58) CA1CA2MEN1KMT2ALMNA
SCHEMBL8556404 0.87 MEN1 (0.69) CA1CA2MEN1KMT2ALMNA
SCHEMBL21328352 0.86 CA1 (0.78) CA1CA2ALDH1A1POLBMTNR1A
SCHEMBL11948294 0.86 CA1 (0.74) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL8558009 0.86 CA1 (0.69) CA1CA2MEN1KMT2ALMNA
SCHEMBL8559166 0.86 LMNA (0.67) CA1CA2MEN1KMT2ALMNA
SCHEMBL8554068 0.85 LMNA (0.53) CA1CA2MEN1KMT2ALMNA
SCHEMBL8556958 0.84 MEN1 (0.58) CA1CA2MEN1KMT2ALMNA
SCHEMBL11654998 0.84 CA1 (0.77) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL4025074 0.84 ALDH1A1 (0.73) 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