SCHEMBL8535988

SCHEMBL8535988

COC(=O)CNCCN(CC(=O)O)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43
TSHR P16473 3/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL9660199 0.93 TET2 (0.36) TDP1EYA2APPACETSHR
SCHEMBL24777827 0.87 TDP1 (0.39) TDP1EYA2APPACETSHR
SCHEMBL5085940 0.83 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL5852270 0.83 TDP1 (0.64) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL3810362 0.83 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL5852235 0.83 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL13129733 0.83 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL3183825 0.81 TDP1 (0.42) TDP1EYA2APPACETSHR
Ammonia Solution, Strong SCHEMBL10726609 0.81 TDP1 (0.61) TDP1EYA2APPACETSHR
SCHEMBL14385464 0.81 TSHR (0.65) TDP1EYA2APPACETSHR

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-0497926-B1 MULTI-SITE METAL CHELATING AGENTS NYCOMED SALUTAR INC (US) 1998-06-03 EP disclosed