SCHEMBL21728796

SCHEMBL21728796

C=CC(=O)NCCOCCOCCOCCOCCOCCOCCOC(C)(C)CCN

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
PYGL P06737 1/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.30
EGFR P00533 1/20 0.30
ITK Q08881 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
SCHEMBL21728862 0.89 ZDHHC20 (0.44) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL21728867 0.85 ZDHHC20 (0.42) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL18691855 0.83 ZDHHC20 (0.42) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL21728797 0.83 ALDH1A1 (0.38) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL15182491 0.81 ALDH1A1 (0.43) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL21728874 0.81 ZDHHC20 (0.40) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL10024759 0.80 ALDH1A1 (0.45) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL12213321 0.79 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL4361183 0.79 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL12328384 0.79 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1

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