SCHEMBL28024880

SCHEMBL28024880

C=C(NCC(=O)O)OC(C)ON

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGLN1 Q9GZT9 2/20 0.37
ECE1 P42892 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ITGB3 P05106 2/20 0.31
ITGB1 P05556 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA5 P08648 2/20 0.31
CTH P32929 1/20 0.31
ACACB O00763 1/20 0.30
APEX1 P27695 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
SCHEMBL167464 0.81 MAPT (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
Hydrochloric Acid SCHEMBL1249763 0.80 MAPT (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29213759 0.74
SCHEMBL28502838 0.74 MAPT (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2163387 0.74 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL350857 0.72
SCHEMBL17137742 0.67 MAPT (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8735296 0.67 EGLN1 (0.59) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL4013697 0.67 EGLN1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17732601 0.66 TDP1 (0.50) ALDH1A1LMNAMAPTPTGS2TDP1

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
CN-104920456-A Special agent capable of prolonging flowering phase for geranium flower LIUZHOU GENGQING TECHNOLOGY CO LTD 2015-09-23 CN disclosed