SCHEMBL5332669

SCHEMBL5332669

Cc1ccc(CC(C)NCCCS(=O)(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.35
PRMT6 Q96LA8 1/20 0.35
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL5332381 0.78 RAB9A (0.50) MEN1KMT2A
SCHEMBL916682 0.74 SIGMAR1 (0.65) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL355488 0.72 SIGMAR1 (0.47) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL353209 0.72 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL5332672 0.70 CA2 (0.40) CYP2D6CA2
SCHEMBL356421 0.70 SIGMAR1 (0.60) SIGMAR1MEN1KMT2A
SCHEMBL352861 0.69 SIGMAR1 (0.46) SIGMAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL354689 0.69 SLC2A1 (0.54) SIGMAR1CYP3A4CYP2D6TP53
SCHEMBL918737 0.69 APP (0.37) EPHX2KMT2A
SCHEMBL916714 0.69 APP (0.37) EPHX2KMT2A

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