SCHEMBL17787172

SCHEMBL17787172

CC(C)(C)OC(=O)NCCSSC(C)(C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
IDO1 P14902 2/20 0.39
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL10037160 0.83 MEN1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL15083132 0.82 TDP1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL1082707 0.82 TDP1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL17520228 0.81 MEN1 (0.51) MEN1KMT2AGAATDP1MAOA
SCHEMBL1785039 0.81 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL15295921 0.81 TDP1 (0.43) MEN1KMT2AGAATDP1MAOA
SCHEMBL19337998 0.81 TDP1 (0.43) MEN1KMT2AGAATDP1MAOA
SCHEMBL17793915 0.80 TDP1 (0.40) MEN1KMT2AGAATDP1MAOA
SCHEMBL10037156 0.77 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL22188082 0.77 MEN1 (0.40) MEN1KMT2AGAATDP1MAOA

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
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 WO disclosed
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 WO disclosed