SCHEMBL29462018

SCHEMBL29462018

C[Si](C)(C)CCCS(=O)(=O)O.[Na]

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
EPHX2 P34913 1/20 0.33

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
SCHEMBL395722 0.97 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL424022 0.95 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL4300905 0.95 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
Hydrochloric Acid SCHEMBL5070335 0.95 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
Water SCHEMBL429998 0.93 APP (0.42) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL2187038 0.88 APP (0.42) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL6244160 0.82 EPHX2 (0.37) APPEPHX2
Butylamine SCHEMBL6244958 0.82 APP (0.54) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1825217 0.81 PTGS1 (0.41) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL30727999 0.81 APP (0.31) APP

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
CN-111534503-B Application of Haloferrila sp 中国农业大学 2022-04-08 CN disclosed