SCHEMBL7328699

SCHEMBL7328699

O=C1CCc2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.69
CA2 P00918 2/20 0.61
CA5A P35218 1/20 0.61
MAOA P21397 10/20 0.56
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
GRM5 P41594 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 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
SCHEMBL27418806 0.89 MAOB (0.56) MAOBCA2CA5AMAOANPC1
SCHEMBL28319037 0.86 MAOB (0.59) MAOBCA2CA5AMAOANPC1
SCHEMBL28319038 0.86 MAOB (0.59) MAOBCA2CA5AMAOANPC1
SCHEMBL28318057 0.86 MAOB (0.61) MAOBMAOA
SCHEMBL28319039 0.86 MAOB (0.60) MAOBCA2CA5AMAOAGRM5
SCHEMBL28318059 0.83 MAOB (0.76) MAOBCA2CA5AMAOAALDH1A1
SCHEMBL14192234 0.82 MAOB (0.63) MAOBCA2CA5AMAOASMN1; SMN2
SCHEMBL28318056 0.82 MAOB (0.74) MAOBCA2CA5AMAOANPC1
SCHEMBL16383698 0.81 MAOB (0.60) MAOBCA2CA5AMAOANPC1
SCHEMBL12470264 0.78 MAOB (0.70) MAOBCA2CA5AMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588847-B Dihydrocoumarin analog derivative and its preparation method and application 上海中医药大学 2019-08-13 CN disclosed
CN-106588847-A Dihydrocoumarin derivatives as well as preparation method and application thereof 上海中医药大学 2017-04-26 CN disclosed
CN-1048247-C Neuroprotective chroman compounds PFIZER (US) 2000-01-12 CN disclosed
EP-0741724-B1 NEUROPROTECTIVE CHROMAN COMPOUNDS PFIZER (US) 1999-08-11 EP disclosed
US-5744483-A Neuroprotective compounds PFIZER INC. (US) 1998-04-28 US disclosed
CN-1142825-A Neuroprotective chroman compounds PFIZER (US) 1997-02-12 CN disclosed
EP-0741724-A1 NEUROPROTECTIVE CHROMAN COMPOUNDS PFIZER INC. (US) 1996-11-13 EP disclosed
WO-1995020587-A1 NEUROPROTECTIVE CHROMAN COMPOUNDS PFIZER INC. (US) 1995-08-03 WO disclosed
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed
EP-0129906-B1 PHENOXYALKOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-06-08 EP disclosed
EP-0129906-A1 Phenoxyalkoxy-3,4-dihydro-2H-1-benzopyran derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 EP disclosed