SCHEMBL11260765

SCHEMBL11260765

CC1(C)c2cc(OS(C)(=O)=O)ccc2OC1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CA2 P00918 2/20 0.38
CA5A P35218 2/20 0.38
DRD3 P35462 2/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
DRD2 P14416 1/20 0.33
ALPL P05186 2/20 0.33
ALPI P09923 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM1 P11229 2/20 0.31
STS P08842 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
MMP13 P45452 1/20 0.31
PPARA Q07869 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11256107 0.99 GAA (0.47) GAACA2CA5ADRD3HPGD
SCHEMBL11260955 0.91 GAA (0.46) GAACA2CA5ADRD3HPGD
SCHEMBL11258761 0.91 GAA (0.61) GAACA2CA5ADRD3HPGD
SCHEMBL11256616 0.88 GAA (0.46) GAACA2ALPLALPIHRH3
SCHEMBL11810506 0.87 GAA (0.46) GAACA2ALDH1A1ENPP1
SCHEMBL11812803 0.86 GAA (0.45) GAACA2ALDH1A1STSENPP1
SCHEMBL11260475 0.85 GAA (0.44) GAACA2ALPLALPIHRH3
SCHEMBL11811672 0.84 GAA (0.43) GAAHPGDALDH1A1HRH3
SCHEMBL11268765 0.83 GAA (0.42) GAACA2DRD3HPGDALDH1A1
SCHEMBL11811085 0.83 GAA (0.42) GAAALDH1A1HRH3

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
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed