Edetic Acid

Edetic Acid

SCHEMBL7787575

CC(=O)SC(=O)CN1C(=O)CCC1=O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
TSHR P16473 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL43959 0.84 TSHR (0.39) TSHRLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL17595174 0.83 TSHR (0.38) TSHRLMNARAB9ASMN1; SMN2
Hydroxyamine SCHEMBL3213770 0.81 TSHR (0.37) TSHRKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL2352790 0.74 TSHR (0.31) TSHRRAB9ASMN1; SMN2
Edetic Acid SCHEMBL3846372 0.71 TDP1 (0.56) TDP1EYA2APPACETSHR
SCHEMBL4381249 0.70 TSHR (0.38) TSHRLMNARAB9ASMN1; SMN2
SCHEMBL2634577 0.68 SMN1; SMN2 (0.40) TSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL121100 0.66 TSHR (0.40) TSHRLMNACYP2C19RAB9ASMN1; SMN2
SCHEMBL236431 0.66 TSHR (0.56) TSHRLMNARAB9ASMN1; SMN2
Edetic Acid SCHEMBL247531 0.66 TDP1 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147230-A1 METHOD FOR CONTROLLING THE EXTENSION OF AN OLIGONUCLEOTIDE Aventis Pharmaceuticals, Inc. (US) 2001-10-24 EP disclosed
WO-2000043544-A1 METHOD FOR CONTROLLING THE EXTENSION OF AN OLIGONUCLEOTIDE DADE BEHRING INC. (US) 2000-07-27 WO disclosed