SCHEMBL409438

SCHEMBL409438

CCC(=O)OCCn1c(=O)n(CCOC(=O)CS)c(=O)n(CCOC(=O)CS)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
WRN Q14191 1/20 0.40
HIF1A Q16665 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL996037 0.91 GAA (0.43) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL19652445 0.91 GAA (0.66) GAAKDM4EALDH1A1CYP1A2HPGD
SCHEMBL24305819 0.83 FNTA (0.41) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL15024150 0.79 NAAA (0.52) GAAKDM4EALDH1A1CYP1A2HPGD
SCHEMBL23713460 0.79 GAA (0.53) GAAKDM4EALDH1A1CYP1A2HPGD
SCHEMBL15779796 0.77 GAA (0.46) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL301234 0.77 FNTA (0.44) GAAKDM4EALDH1A1BLMMEN1
SCHEMBL17049401 0.77 GAA (0.53) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL19733735 0.75 NAAA (0.65) GAAALDH1A1NAAANPSR1HTT
SCHEMBL18888044 0.74 FNTA (0.42) GAAKDM4EALDH1A1MEN1KMT2A

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
US-8816021-B2 Curable composition with rubber-like properties DESIGNER MOLECULES, INC. (US) 2014-08-26 US disclosed
US-20120065336-A1 CURABLE COMPOSITION WITH RUBBER-LIKE PROPERTIES DESIGNER MOLECULES, INC. (US) 2012-03-15 US disclosed