SCHEMBL28623644

SCHEMBL28623644

O=C(O)C(CCS(=O)(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APEX1 P27695 1/20 0.31

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
SCHEMBL5014570 0.72 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
Trifluoroacetic Acid SCHEMBL31186984 0.70 ALDH1A1 (0.48) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2723005 0.69 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5014854 0.69 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL20765129 0.69 ARG1 (0.40) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL20765128 0.69 ARG1 (0.40) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5923114 0.69 PTGS1 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL20764740 0.68 MEN1 (0.55) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL20764738 0.68 MEN1 (0.55) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL353110 0.67 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19

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-113321601-A Fluorosurfactants 默克专利股份有限公司 2021-08-31 CN disclosed