SCHEMBL16685221

SCHEMBL16685221

[CH2]C(C)CCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
TP53 P04637 1/20 0.38
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 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
SCHEMBL5173003 0.93 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL3724858 0.83
SCHEMBL5637565 0.81 APP (0.44) APPTP53PTGS1PDE4ALMNA
SCHEMBL28319228 0.81 PTGS1 (0.36) APPTP53PTGS1PDE4ALMNA
SCHEMBL25358063 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL5535320 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL9011748 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL25355908 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL25355943 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL41410 0.79 APP (0.42) APPTP53PTGS1PDE4ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063231-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP disclosed
WO-2015062939-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-05-07 WO disclosed