SCHEMBL8558286

SCHEMBL8558286

COc1cc(CCNC(=O)Cc2ccc(F)cc2)cc(O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 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
SCHEMBL8556404 0.89 MEN1 (0.69) LMNASMN1; SMN2MEN1KMT2ACA1
SCHEMBL8558009 0.88 CA1 (0.69) LMNAMEN1KMT2ACA1CA2
SCHEMBL8559166 0.88 LMNA (0.67) LMNASMN1; SMN2MEN1KMT2ACA1
SCHEMBL8554326 0.84 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACA1
SCHEMBL4023715 0.84 CA1 (0.67) MEN1KMT2ACA1CA2CA12
SCHEMBL8558635 0.84 TAAR1 (0.70) LMNAMEN1KMT2AMAPT
SCHEMBL8558637 0.83 LMNA (0.58) LMNAMEN1KMT2ACA1CA2
SCHEMBL8553751 0.82 CA1 (0.65) LMNASMN1; SMN2MEN1KMT2ACA1
SCHEMBL6392255 0.80 LTA4H (0.61) LMNAKMT2ACA1CA2LTA4H
SCHEMBL28000837 0.80 KMT2A (0.64) LMNASMN1; SMN2MEN1KMT2A

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