SCHEMBL4599286

SCHEMBL4599286

CC(C)Cc1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FAAH O00519 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
TAAR1 Q96RJ0 2/20 0.43
F2 P00734 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 2/20 0.42
FDFT1 P37268 2/20 0.42

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
SCHEMBL4599792 0.89 ALDH1A1 (0.47) ALDH1A1TDP1TAAR1F2L3MBTL1
SCHEMBL4599115 0.81 TAAR1 (0.47) ALDH1A1FAAHTAAR1FDFT1
SCHEMBL23665653 0.80 TAAR1 (0.46) ALDH1A1TAAR1GAAFDFT1
SCHEMBL4599667 0.79 FAAH (0.49) ALDH1A1SMN1; SMN2FAAHTDP1F2
SCHEMBL1827598 0.78 SIGMAR1 (0.49) ALDH1A1L3MBTL1GAALMNA
SCHEMBL10179888 0.77 PPARA (0.54) ALDH1A1SMN1; SMN2FAAHF2
SCHEMBL3579723 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2FAAHTDP1F2
SCHEMBL1826630 0.77 PLAU (0.48) ALDH1A1SMN1; SMN2FAAH
SCHEMBL1825995 0.77 CA12 (0.54) ALDH1A1FAAHLMNA
SCHEMBL1826562 0.77 CA12 (0.49) ALDH1A1FAAHL3MBTL1

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
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