SCHEMBL8558635

SCHEMBL8558635

COc1ccccc1CC(=O)NCCc1cc(O)c(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.70
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL8558499 0.91 TAAR1 (0.57) TAAR1ALDH1A1HSD17B10POLBMEN1
SCHEMBL8556958 0.86 MEN1 (0.58) TAAR1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8559166 0.85 LMNA (0.67) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8558286 0.84 LMNA (0.59) MEN1KMT2ALMNAMAPT
SCHEMBL8558009 0.83 CA1 (0.69) POLBMEN1KMT2ALMNA
SCHEMBL8556404 0.82 MEN1 (0.69) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL8553751 0.82 CA1 (0.65) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL8558637 0.81 LMNA (0.58) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL28000837 0.80 KMT2A (0.64) TAAR1ALDH1A1POLBMEN1KMT2A
SCHEMBL8556490 0.80 ERCC1 (0.56) TAAR1ALDH1A1POLBMEN1KMT2A

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