SCHEMBL11216010

SCHEMBL11216010

N#CCCCCCCNCCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
APP P05067 1/20 0.35
NLRP3 Q96P20 1/20 0.34
RELA Q04206 4/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL9323457 0.84 APP (0.41) GBA1APPNLRP3EPHX2
SCHEMBL142227 0.84 APP (0.41) GBA1APPNLRP3EPHX2
SCHEMBL3309834 0.83 APP (0.44) GBA1APPNLRP3EPHX2
SCHEMBL3312499 0.81 APP (0.42) GBA1APPNLRP3
SCHEMBL3310664 0.81 APP (0.42) GBA1APPNLRP3
SCHEMBL9322595 0.81
SCHEMBL3457117 0.81 GBA1 (0.41) GBA1
SCHEMBL918312 0.81 APP (0.50) APPRELAEPHX2
SCHEMBL13016325 0.81 GBA1 (0.41) GBA1
SCHEMBL28774460 0.79 APP (0.44) APPNLRP3

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-4322535-A REACTION OF AN ACYL HALIDE, ALDEHYDE, AND CYANIDE SALT USING A CATALYTIC AMPHOTERIC SURFACTANT OF AN AMINO ALKYLSULFONATE FMC CORPORATION (US) 1982-03-30 US disclosed