SCHEMBL5084591

SCHEMBL5084591

C=Cc1ccc(S(=O)(=O)OC2(O)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL8744354 0.80 SMN1; SMN2 (0.50) TDP1ALDH1A1
SCHEMBL3387018 0.76 TDP1 (0.38) TDP1HCRTR1HCRTR2
SCHEMBL25916447 0.75 TDP1 (0.39) TDP1ALDH1A1
SCHEMBL6115133 0.73 TDP1 (0.53) TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL14131682 0.72 TDP1 (0.39) TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL29040145 0.71 CA2 (0.43) ALDH1A1
SCHEMBL4564767 0.70 TDP1 (0.50) TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL5691471 0.69 TDP1 (0.44) TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL1617948 0.68 TDP1 (0.52) TDP1ALDH1A1HCRTR1HCRTR2
SCHEMBL814455 0.68 TDP1 (0.55) TDP1ALDH1A1

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
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO claimed