SCHEMBL9625870

SCHEMBL9625870

C=CC(=O)NCCCCS(=O)(=O)O.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
EPHX2 P34913 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 10/20 0.41
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL177994 0.98 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL29161807 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL11695495 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL11694993 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL4807878 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL5050870 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL462110 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL2785000 0.96 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL27760620 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1
SCHEMBL25112 0.94 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX2MAPK1ALDH1A1

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-0172448-B1 SOLID LITHIUM AND AMMONIUM SALTS OF POLY(ACRYLAMIDOMETHYLPROPANESULFONIC ACID) AND USE THEREOF TO THICKEN HIGHLY POLAR ORGANIC SOLVENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-02-05 EP disclosed
EP-0172448-A2 Solid lithium and ammonium salts of poly(acrylamidomethylpropanesulfonic acid) and use thereof to thicken highly polar organic solvents HENKEL CORPORATION (a Delaware corp.) (US) 1986-02-26 EP disclosed