SCHEMBL4598688

SCHEMBL4598688

CCNc1[c]ccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.37
ALPL P05186 2/20 0.37
ALPI P09923 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL3454513 0.88 MEN1 (0.44) TDP1L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4598731 0.85 ALDH1A1 (0.41) TDP1L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4600500 0.85 ALDH1A1 (0.48) TDP1L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4599760 0.83 ALDH1A1 (0.40) TDP1L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4611281 0.83 FAAH (0.40) TDP1L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL4599161 0.82 HTT (0.49) TDP1L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL4599588 0.81 KDM4E (0.37) GAAALDH1A1LMNAHTTFAAH
SCHEMBL4599999 0.80 L3MBTL1 (0.45) TDP1L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4599861 0.78 GAA (0.40) L3MBTL1GAAALDH1A1LMNAHTT
SCHEMBL4610582 0.78 ALDH1A1 (0.45) TDP1L3MBTL1MAPK1ALDH1A1SMN1; SMN2

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