SCHEMBL9664644

SCHEMBL9664644

CC(=O)c1ccc(Oc2ccc(OCCCN3CCN(C)CC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
HRH2 P25021 3/20 0.67
HRH1 P35367 3/20 0.67
HRH3 Q9Y5N1 10/20 0.66
L3MBTL1 Q9Y468 1/20 0.58
DRD2 P14416 1/20 0.57
RAB9A P51151 1/20 0.57
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
GAA P10253 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL14054622 0.89 KDM4E (0.69) KDM4EHRH2HRH1HRH3L3MBTL1
SCHEMBL6981478 0.86 KDM4E (0.89) KDM4EHRH2HRH1HRH3L3MBTL1
SCHEMBL5213285 0.86 KDM4E (0.89) KDM4EHRH2HRH1HRH3L3MBTL1
SCHEMBL491803 0.85 KDM4E (0.92) KDM4EHRH2HRH1HRH3THRB
SCHEMBL5855860 0.83 KDM4E (0.90) KDM4EHRH2HRH1HRH3THRB
SCHEMBL9530115 0.82 ALDH1A1 (0.81) KDM4EHRH2HRH1HRH3THRA
SCHEMBL7250762 0.82 KDM4E (0.70) KDM4EHRH2HRH1HRH3L3MBTL1
SCHEMBL10818222 0.82 HRH2 (0.75) HRH2HRH1HRH3THRATHRB
SCHEMBL13246598 0.81 RAB9A (0.61) KDM4EHRH2HRH1HRH3DRD2
SCHEMBL13305526 0.81 KDM4E (0.76) KDM4EHRH2HRH1HRH3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324472-B1 KETENEDITHIOACETAL DERIVATIVES AND PROCESSES FOR PRODUCING THE SAME AS WELL AS A COMPOSITION CONTAINING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-5098928-A Antilipemic agents and treatment of arteriosclerosis NIHON NOHYAKU CO., LTD. (JP) 1992-03-24 US disclosed
EP-0324472-A2 Ketenedithioacetal derivatives and processes for producing the same as well as a composition containing the same NIHON NOHYAKU CO., LTD. (JP) 1989-07-19 EP disclosed