SCHEMBL11248531

SCHEMBL11248531

CC(Cl)(Cl)C(=O)Oc1ccc2c(c1)C(C)(C)C(N1CCCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ACHE P22303 17/20 0.35
BCHE P06276 12/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33

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
SCHEMBL11261439 0.99 GAA (0.48) GAAACHEBCHEESR1ESR2
SCHEMBL11260765 0.76 GAA (0.48) GAA
SCHEMBL11271031 0.76 GAA (0.80) GAA
SCHEMBL11256107 0.75 GAA (0.47) GAA
SCHEMBL11256616 0.74 GAA (0.46) GAAACHEBCHE
SCHEMBL11810506 0.73 GAA (0.46) GAA
SCHEMBL11812803 0.72 GAA (0.45) GAA
SCHEMBL11260475 0.72 GAA (0.44) GAAACHEBCHE
SCHEMBL11811672 0.71 GAA (0.43) GAAACHEBCHE
SCHEMBL11811085 0.70 GAA (0.42) GAAACHEBCHE

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