SCHEMBL5262164

SCHEMBL5262164

Nc1ccc(CCCCS(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
RECQL P46063 1/20 0.53
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
GFER P55789 1/20 0.48
MGLL Q99685 2/20 0.47
CYP2D6 P10635 2/20 0.46
CA2 P00918 4/20 0.44
MAOA P21397 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NT5E P21589 1/20 0.42
APP P05067 1/20 0.40
F2 P00734 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
TMPRSS4 Q9NRS4 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
SCHEMBL5336202 0.98 MAOB (0.52) MAOBRECQLS1PR2S1PR1S1PR3
SCHEMBL8899345 0.86 RECQL (0.64) MAOBRECQLS1PR2S1PR1S1PR3
SCHEMBL11291036 0.84 MAOB (0.57) MAOBRECQLGFERMGLLCA2
SCHEMBL27280507 0.82 MGLL (0.68) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL23322490 0.81 S1PR2 (0.65) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL15613965 0.81 S1PR2 (0.60) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL1334284 0.81 HDAC3 (0.50) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL3139486 0.81 MGLL (0.51) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL9051355 0.81 IGF1R (0.50) S1PR2S1PR1S1PR3MGLLCA2
SCHEMBL3129672 0.81 MGLL (0.47) S1PR2S1PR1S1PR3MGLLCA2

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