SCHEMBL4599803

SCHEMBL4599803

CC(C)(C)Nc1[c]ccc(OS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CA2 P00918 4/20 0.34
CA5A P35218 2/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
CA12 O43570 2/20 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
SCHEMBL4599912 0.82 ALDH1A1 (0.38) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL4599166 0.80 MEN1 (0.44) ALDH1A1CA2HPGDGAACA12
SCHEMBL4599588 0.78 KDM4E (0.37) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL15067718 0.76 HPGD (0.41) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL4598887 0.74 CA12 (0.35) ALDH1A1CA2HPGDKDM4EGAA
SCHEMBL28387862 0.73 ALDH1A1 (0.41) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL4599391 0.73 HTT (0.40) ALDH1A1CA2CA12
SCHEMBL15066795 0.71 ALDH1A1 (0.40) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL15066595 0.71 ALDH1A1 (0.40) ALDH1A1CA2CA5AHPGDKDM4E
SCHEMBL4603285 0.71 ALDH1A1 (0.40) ALDH1A1CA2CA5AHPGDKDM4E

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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed