SCHEMBL11458474

SCHEMBL11458474

CC1(C)OCC(C)(C)c2cc(OS(C)(=O)=O)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA5A P35218 2/20 0.41
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
DRD3 P35462 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PSMD14 O00487 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 3/20 0.33
ALPL P05186 2/20 0.33
ALPI P09923 1/20 0.33
PPARG P37231 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
SCHEMBL11448856 0.87 CA2 (0.41) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11457980 0.86 CA2 (0.40) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11458059 0.86 CA2 (0.39) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11456149 0.85 CA2 (0.38) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11458306 0.85 CA2 (0.38) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11448277 0.84 CA2 (0.36) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11456281 0.84 CA2 (0.38) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11450799 0.83 CA2 (0.45) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11448106 0.83 CA2 (0.37) CA2CA5AHPGDALDH1A1KDM4E
SCHEMBL11466857 0.78 CA2 (0.41) CA2CA5AHPGDALDH1A1KDM4E

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-4222767-A Certain herbicidal sulfonates and sulfamates FISONS LIMITED (GB) 1980-09-16 US disclosed
US-4162154-A BENZOFURAN DERIVATIVES FISONS LIMITED (GB) 1979-07-24 US disclosed