SCHEMBL5336202

SCHEMBL5336202

Nc1ccc(CCCCCS(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
RECQL P46063 1/20 0.52
S1PR2 O95136 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
MGLL Q99685 2/20 0.50
GFER P55789 1/20 0.46
CA2 P00918 4/20 0.46
CYP2D6 P10635 1/20 0.45
MAOA P21397 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NT5E P21589 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL5262164 0.98 MAOB (0.53) MAOBRECQLS1PR2S1PR1S1PR3
SCHEMBL8899345 0.84 RECQL (0.64) MAOBRECQLS1PR2S1PR1S1PR3
SCHEMBL11291036 0.82 MAOB (0.57) MAOBRECQLMGLLGFERCA2
SCHEMBL23322428 0.81 S1PR1 (0.68) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL11102866 0.81 MGLL (0.50) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL9053057 0.81 S1PR2 (0.51) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL6117904 0.81 MAPT (0.55) MGLLCA2
SCHEMBL3141008 0.81 MAPT (0.55) MGLLCA2
SCHEMBL14399650 0.81 MAPT (0.55) MGLLCA2
SCHEMBL3139656 0.81 MAPT (0.55) MGLLCA2

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-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed