SCHEMBL28038731

SCHEMBL28038731

O=S(=O)(O)CCOCCS(=O)(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PDE4A P27815 1/20 0.50
LMNA P02545 1/20 0.43
SLC6A6 P31641 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
APP P05067 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.31
CA2 P00918 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL418534 0.97 PTGS1 (0.53) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL7869938 0.94 PTGS1 (0.50) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL306715 0.89 TSHR (0.50) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1356926 0.87 MEN1 (0.52) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1356134 0.87 MEN1 (0.52) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8380759 0.87 MEN1 (0.52) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL10958261 0.87 PTGS1 (0.40) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL375597 0.86 TSHR (0.53) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL263732 0.86 APP (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9842274 0.86 PTGS1 (0.43) 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-105038667-A Environment-friendly acid-resisting and wear-resisting adhesive and preparing method thereof SUZHOU KAIOUMAN NEW MATERIAL SCIENCE & TECHNOLOGY CO LTD 2015-11-11 CN disclosed