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SCHEMBL5705751

SCHEMBL5705751

O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O.O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.37
▸ CA2 P00918 15/20 0.37
▸ CA4 P22748 6/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34

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
SCHEMBL9615526 0.84 CA1 (0.37) CA1CA2CA4AKR1B1CA12
SCHEMBL38651533 0.82 ALDH1A1 (0.43) CA1CA2AKR1B1CA12CA9
SCHEMBL934352 0.80 ALDH1A1 (0.46) CA1CA2CA4CA12CA9
SCHEMBL8966423 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1CA12
SCHEMBL453848 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1CA12
SCHEMBL29393657 0.80 AKR1B1 (0.55) CA1CA2CA4AKR1B1CA12
SCHEMBL935363 0.79 ALDH1A1 (0.45) CA1CA2CA4CA12CA9
SCHEMBL23629774 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1CA12
SCHEMBL1314141 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1CA12
SCHEMBL15864891 0.78 AKR1B1 (0.53) CA1CA2CA4AKR1B1CA12

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-1702965-A2 Metal chemical mechanical polishing solution and polishing method FUJI PHOTO FILM CO., LTD. (JP) 2006-09-20 — — EP disclosed