SCHEMBL4599667

SCHEMBL4599667

C[C](C)Cc1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
F2 P00734 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
PTGDR2 Q9Y5Y4 4/20 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
GPR17 Q13304 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL4599286 0.79 ALDH1A1 (0.48) FAAHALDH1A1SMN1; SMN2F2TDP1
SCHEMBL10179888 0.77 PPARA (0.54) FAAHALDH1A1SMN1; SMN2F2
SCHEMBL1822798 0.77 FAAH (0.47) FAAHALDH1A1SMN1; SMN2F2TDP1
SCHEMBL4127164 0.74 PPARG (0.56) ALDH1A1SMN1; SMN2F2TDP1L3MBTL1
SCHEMBL7336916 0.74 ALDH1A1 (0.55) FAAHALDH1A1SMN1; SMN2F2TDP1
SCHEMBL1825995 0.74 CA12 (0.54) FAAHALDH1A1LMNA
SCHEMBL8393962 0.74 TDP1 (0.47) FAAHALDH1A1SMN1; SMN2F2TDP1
SCHEMBL9379190 0.73 CYP4F2 (0.63) ALDH1A1SMN1; SMN2L3MBTL1GAAMAOB
SCHEMBL1827290 0.73 ADRB3 (0.42) FAAHALDH1A1SMN1; SMN2F2LMNA
SCHEMBL19146 0.73 TDP1 (0.73) ALDH1A1SMN1; SMN2TDP1MAOB

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 disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed