SCHEMBL346896

SCHEMBL346896

O=C(O)CN(CCN(CC(=O)O)C(C(=O)O)P(=O)([O-])[O-])CC(=O)O.[Cs+].[Cs+]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
EYA2 O00167 1/20 0.47
APP P05067 1/20 0.47
ACE P12821 1/20 0.47
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL8030324 0.97 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL407450 0.83 TDP1 (0.50) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL2768272 0.73 TDP1 (0.70) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL333283 0.73 TDP1 (0.70) TDP1EYA2APPACEBLM
SCHEMBL1896973 0.72 TDP1 (0.61) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL7033909 0.72 TDP1 (0.67) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28666194 0.72 TDP1 (0.67) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL9797852 0.72 TDP1 (0.67) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL167796 0.72 TDP1 (0.67) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL651320 0.72 TDP1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120012779-A1 TEMPERATURE ADJUSTMENT DEVICE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed