SCHEMBL21444657

SCHEMBL21444657

NCCC(=O)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(CCOC(=O)CCS)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
ACE P12821 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 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
SCHEMBL301234 0.92 FNTA (0.44) FNTAFNTBKDM4EGAAMEN1
SCHEMBL24305819 0.87 FNTA (0.41) FNTAFNTBKDM4EGAAMEN1
SCHEMBL14012710 0.85 FNTA (0.54) FNTAFNTBKDM4EGAAMEN1
SCHEMBL15779796 0.84 GAA (0.46) FNTAFNTBKDM4EGAAMEN1
SCHEMBL22416910 0.84 GAA (0.40) FNTAFNTBKDM4EGAAMEN1
SCHEMBL18888044 0.81 FNTA (0.42) FNTAFNTBKDM4EGAAMEN1
SCHEMBL25856013 0.81 FNTA (0.38) FNTAFNTBKDM4EGAAALDH1A1
SCHEMBL27071225 0.79 GAA (0.36) FNTAFNTBKDM4EGAAMEN1
SCHEMBL19866334 0.78 FNTA (0.35) FNTAFNTBKDM4EGAA
SCHEMBL19540516 0.78 FNTA (0.35) FNTAFNTBKDM4EGAA

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-2829534-B1 NOVEL COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION ADEKA CORP (JP) 2019-10-09 EP disclosed