SCHEMBL11271884

SCHEMBL11271884

CC(C)OC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 3/20 0.34
ALPL P05186 2/20 0.34
ALPI P09923 1/20 0.34
KDM4E B2RXH2 4/20 0.33
NQO1 P15559 2/20 0.33
POR P16435 2/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL11412349 0.89 CA2 (0.34) CA2
SCHEMBL11252031 0.88 ALPI (0.36) CA2ALPLALPINQO1POR
SCHEMBL11410871 0.86 ALK (0.36) CA2ALDH1A1SMN1; SMN2NQO1POR
SCHEMBL11269026 0.85 CA2 (0.39) CA2CA5AHPGDALDH1A1ALPL
SCHEMBL11269387 0.85 CA2 (0.39) CA2CA5AHPGDALDH1A1SMN1; SMN2
SCHEMBL11808481 0.83 NQO1 (0.32) NQO1POR
SCHEMBL11266207 0.83 ALDH1A1 (0.36) CA2CA5AHPGDALDH1A1SMN1; SMN2
SCHEMBL11265168 0.83 CA2 (0.33) CA2CA5AHPGDALDH1A1ALPL
SCHEMBL11811206 0.83 NQO1 (0.32) NQO1POR
Ethofumesate SCHEMBL20267522 0.82 CA2 (0.34) CA2CA5AHPGDALDH1A1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US claimed
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