SCHEMBL11140809

SCHEMBL11140809

O=C(O)CN(CCN(CC(=O)O)C([Na])([Na])C(=O)O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
EYA2 O00167 1/20 0.56
APP P05067 1/20 0.56
ACE P12821 1/20 0.56
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
Edetic Acid SCHEMBL30286742 0.81 TDP1 (0.64) TDP1EYA2APPACEBLM
SCHEMBL28443199 0.78 TDP1 (0.58) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL5611911 0.75 TDP1 (0.88) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28278619 0.75 TDP1 (0.88) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL4258882 0.75 TDP1 (0.88) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28859440 0.75 TDP1 (0.88) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL15136 0.75 TDP1 (1.00) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL1373 0.75 TDP1 (1.00) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL16714076 0.75 TDP1 (1.00) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL8624198 0.75 TDP1 (1.00) TDP1EYA2APPACEBLM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376825-A ENZYME-BOUND LIGANDS WITH FREE REACTIVE SITES WHICH CAN BIND RECEPTORS SYVA COMPANY (US) 1983-03-15 US disclosed
US-4282325-A FOR AMPLIFICATION IN ASSAYS SYVA COMPANY (US) 1981-08-04 US disclosed
US-4203802-A ENZYME BOUND TO AN ESTROGEN LIGAND SYVA COMPANY (US) 1980-05-20 US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 US disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 US disclosed
US-3975237-A LIGANDS SYVA COMPANY (US) 1976-08-17 US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 US disclosed