SCHEMBL17690253

SCHEMBL17690253

CC(=O)CN(C=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
SLC15A2 Q16348 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL27805954 0.90 ALDH1A1 (0.35) TDP1TSHR
SCHEMBL2185699 0.87 TDP1 (0.43) TDP1LMNAEYA2APPACE
SCHEMBL6050658 0.78
SCHEMBL14123945 0.74 TDP1 (0.39) TDP1LMNAEYA2APPACE
SCHEMBL23502501 0.73 CA12 (0.35) TDP1LMNAEYA2APPACE
SCHEMBL20043297 0.73 TDP1 (0.32) TDP1LMNAEYA2APPACE
SCHEMBL14729807 0.73 PAOX (0.32)
SCHEMBL13806341 0.73 ALDH1A1 (0.37) TDP1ALOX15TSHR
SCHEMBL7400280 0.71 TDP1 (0.40) TDP1LMNAEYA2APPACE
SCHEMBL4116214 0.71 TDP1 (0.40) TDP1LMNAEYA2APPACE

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-2201025-B1 FUNCTIONAL LIPID CONSTRUCTS KODE BIOTECH LTD (NZ) 2016-04-20 EP disclosed