SCHEMBL2968028

SCHEMBL2968028

C=C(CCC[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
TBXAS1 P24557 2/20 0.34
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2971602 0.94 MEN1 (0.46) MEN1LMNABLMHBBKMT2A
SCHEMBL2976809 0.86 MEN1 (0.58) MEN1LMNABLMHBBKMT2A
SCHEMBL6834835 0.79 MEN1 (0.54) MEN1LMNABLMHBBKMT2A
SCHEMBL1679439 0.77
SCHEMBL2025802 0.75 TBXAS1 (0.47) LMNATBXAS1TET2TET3TET1
SCHEMBL7989948 0.75 SLC22A6 (0.44) LMNATBXAS1TET2TET3TET1
Hydrochloric Acid SCHEMBL11628771 0.75 LMNA (0.68) MEN1LMNABLMHBBKMT2A
SCHEMBL1860769 0.73 TBXAS1 (0.50) MEN1LMNAKMT2AALDH1A1TDP1
SCHEMBL3125930 0.73 TBXAS1 (0.50) MEN1LMNAKMT2AALDH1A1TDP1
SCHEMBL11122641 0.73 TBXAS1 (0.50) MEN1LMNAKMT2AALDH1A1TDP1

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-7776502-B2 Toner for developing electrostatic charge image, electrostatic charge image developer, image forming method and image forming apparatus FUJI XEROX CO., LTD. (JP) 2010-08-17 US disclosed
US-20080102396-A1 Toner for developing electrostatic charge image, electrostatic charge image developer, image forming method and image forming apparatus FUJI XEROX CO., LTD. (JP) 2008-05-01 US disclosed