SCHEMBL11695495

SCHEMBL11695495

C=CC(=O)NCCCCCCCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.61
ZDHHC2 Q9UIJ5 1/20 0.61
EPHX2 P34913 2/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 7/20 0.44
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A2 O94788 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1A3 P47895 1/20 0.32
EPHX1 P07099 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
SCHEMBL4807878 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL27760620 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL29161807 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL11694993 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL5050870 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL462110 1.00 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL177994 0.98 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL2785000 0.96 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
SCHEMBL9625870 0.96 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1
Dimethylamine SCHEMBL11694933 0.95 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2ALDH1A1MAPK1

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-4008293-A ACRYLIC COPOLYMER, AMINOPLAST, BINDER PPG INDUSTRIES, INC. (US) 1977-02-15 US disclosed