SCHEMBL5261111

SCHEMBL5261111

CCC(C)CCNCCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.32
TP53 P04637 1/20 0.32
ENPEP Q07075 4/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RELA Q04206 4/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
GRIA1 P42261 3/20 0.31
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL5262548 0.84 APP (0.32) APPALDH1A1TP53
SCHEMBL917778 0.84 APP (0.34) APPEPHX2CA2GRIA1
SCHEMBL917858 0.83 APP (0.37) APPEPHX2ALDH1A1TSHRPAOX
SCHEMBL6589960 0.81 APP (0.41) APPEPHX2ALDH1A1TSHRTP53
SCHEMBL2680846 0.81 APP (0.41) APPEPHX2ALDH1A1TSHRTP53
SCHEMBL8813035 0.79 TP53 (0.41) APPEPHX2ALDH1A1TSHRTP53
SCHEMBL918312 0.78 APP (0.50) APPEPHX2ALDH1A1TSHRPAOX
SCHEMBL1831247 0.78 GRIA1 (0.36) APPEPHX2ALDH1A1TP53RELA
SCHEMBL918218 0.78 APP (0.35) APPEPHX2ALDH1A1TSHRGRIA1
SCHEMBL1832543 0.78 GRIA1 (0.36) APPEPHX2ALDH1A1TP53RELA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117338785-A Application of GSK-126 in preparation of hypolipidemic drugs 徐州医科大学 2024-01-05 CN disclosed
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