SCHEMBL11235593

SCHEMBL11235593

CCC(C)(O)CNCCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
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
SCHEMBL11148783 0.89
SCHEMBL21064436 0.83 APP (0.37) APPEPHX2
SCHEMBL918133 0.81 APP (0.38) APPEPHX2
SCHEMBL11143953 0.77
SCHEMBL918515 0.74 CYP2C19 (0.52) APPEPHX2
SCHEMBL918312 0.73 APP (0.50) APPEPHX2
SCHEMBL5501966 0.73 APP (0.38) APPEPHX2
SCHEMBL354573 0.72 PAOX (0.52) APPEPHX2
SCHEMBL917681 0.72 ALDH1A1 (0.59) EPHX2
SCHEMBL354553 0.72 TSHR (0.52) APPEPHX2

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
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed