SCHEMBL11010282

SCHEMBL11010282

C1=Cc2ccc(OCc3ccccc3)cc2OC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.58
MAOA P21397 6/20 0.58
CA2 P00918 4/20 0.56
CA5A P35218 3/20 0.56
STS P08842 1/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
GRM5 P41594 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX5 P09917 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL9825409 0.77 STS (0.54) MAOBMAOASTSCA12CA9
SCHEMBL22916225 0.75 CA12 (0.56) MAOBMAOACA2STSALDH1A1
SCHEMBL21213879 0.74 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4731619 0.74 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL27397632 0.73 STS (0.60) CA2CA5ASTS
SCHEMBL28445528 0.73 STS (0.60) CA2CA5ASTSALDH1A1HPGD
SCHEMBL29634256 0.73 STS (0.60) CA2CA5ASTSALDH1A1HPGD
SCHEMBL14515202 0.73 STS (0.53) MAOBMAOACA2CA5ASTS
SCHEMBL21365816 0.73 STS (0.50) STSNPC1RAB9AALOX5
SCHEMBL29749495 0.73 MAOB (0.57) MAOBMAOACA2CA5ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129906-A1 Phenoxyalkoxy-3,4-dihydro-2H-1-benzopyran derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 EP disclosed