SCHEMBL21728797

SCHEMBL21728797

C=CC(=O)NCCOCCOCCOC(C)(C)CNC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL21728867 0.85 ZDHHC20 (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL18691855 0.83 ZDHHC20 (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21728796 0.83 ZDHHC20 (0.37) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21728862 0.83 ZDHHC20 (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21728874 0.81 ZDHHC20 (0.40) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12213321 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL4361183 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12328966 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12328384 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10064051 0.78 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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
EP-3101171-B1 MALODOR COUNTERACTING COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2020-02-19 EP disclosed