SCHEMBL8556958

SCHEMBL8556958

COc1ccc(OC)c(CC(=O)NCCc2cc(O)c(OC)c(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8556404 0.87 MEN1 (0.69) MEN1KMT2ALMNACA1CA2
SCHEMBL8558635 0.86 TAAR1 (0.70) MEN1KMT2ALMNATAAR1HSD17B10
SCHEMBL4029338 0.85 KMT2A (0.70) MEN1KMT2ALMNACA1CA2
SCHEMBL8553751 0.84 CA1 (0.65) MEN1KMT2ALMNACA1CA2
SCHEMBL8558009 0.84 CA1 (0.69) MEN1KMT2ALMNACA1CA2
SCHEMBL8558637 0.84 LMNA (0.58) MEN1KMT2ALMNACA1CA2
SCHEMBL8559166 0.83 LMNA (0.67) MEN1KMT2ALMNACA1CA2
SCHEMBL4026108 0.83 MTNR1A (0.63) MEN1KMT2ALMNATAAR1HSD17B10
SCHEMBL8558499 0.82 TAAR1 (0.57) MEN1KMT2ALMNATAAR1CA1
SCHEMBL8557569 0.82 MEN1 (0.86) MEN1KMT2ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923597-A1 SUBSTITUTED PROPARGYLETHOXYAMIDO NUCLEOSIDES THE PERKIN-ELMER CORPORATION (US) 1999-06-23 EP disclosed
WO-1998045310-A1 SUBSTITUTED PROPARGYLETHOXYAMIDO NUCLEOSIDES THE PERKIN-ELMER CORPORATION (US) 1998-10-15 WO disclosed
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