SCHEMBL9727779

SCHEMBL9727779

COc1ccc2oc(C=Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.75
MAOA P21397 3/20 0.70
MAOB P27338 3/20 0.70
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AHR P35869 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
SCHEMBL1810321 0.93 APP (0.69) APPMAOAMAOBMAPTKDM4E
SCHEMBL1810320 0.93 APP (0.69) APPMAOAMAOBMAPTKDM4E
SCHEMBL1804421 0.91 APP (0.83) APPMAOAMAOBMAPTKDM4E
SCHEMBL1804423 0.91 APP (0.83) APPMAOAMAOBMAPTKDM4E
SCHEMBL1806011 0.86 APP (1.00) APPMAOAMAOBMAPTKDM4E
SCHEMBL1806013 0.86 APP (1.00) APPMAOAMAOBMAPTKDM4E
SCHEMBL5828701 0.85 APP (0.74) APPMAOAMAOBMAPTKDM4E
SCHEMBL5828704 0.85 APP (0.74) APPMAOAMAOBMAPTKDM4E
SCHEMBL1808248 0.83 APP (1.00) APPMAOAMAOBMAPTKDM4E
SCHEMBL1804707 0.83 APP (1.00) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed