SCHEMBL8559166

SCHEMBL8559166

COc1cc(CCNC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc(O)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50

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 0.92 LMNA (0.58) LMNAMEN1KMT2ACA1CA2
SCHEMBL8558009 0.90 CA1 (0.69) LMNAMEN1KMT2ACA1CA2
SCHEMBL8556404 0.89 MEN1 (0.69) LMNAMEN1KMT2ACA1CA2
SCHEMBL8558286 0.88 LMNA (0.59) LMNAMEN1KMT2ACA1CA2
SCHEMBL8553751 0.86 CA1 (0.65) LMNAMEN1KMT2ACA1CA2
SCHEMBL8559148 0.85 MEN1 (0.62) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8558635 0.85 TAAR1 (0.70) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL29092550 0.85 MTNR1A (0.57) LMNAMEN1KMT2ACA1CA2
SCHEMBL8556490 0.84 ERCC1 (0.56) LMNAMEN1KMT2ACA1CA2
SCHEMBL8554326 0.84 LMNA (0.58) LMNAMEN1KMT2ACA1CA2

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