SCHEMBL8536277

SCHEMBL8536277

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
CYP2C19 P33261 1/20 0.65
ADRA1A P35348 1/20 0.65
DRD3 P35462 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
EYA2 O00167 1/20 0.61
APP P05067 1/20 0.61
ACE P12821 1/20 0.61

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
SCHEMBL20392727 0.92 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL22293743 0.92 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8916987 0.91 TDP1 (0.54) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8532906 0.91 TDP1 (0.54) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8536234 0.91 TDP1 (0.54) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8858995 0.90 TDP1 (0.58) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL6854082 0.89 TDP1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL21732961 0.88 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL15499780 0.88 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL21539283 0.88 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A

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 3 patents. 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
US-5679810-A AMIDE OR ESTER LINKAGES; COMPLEXES PARAMAGNETIC METAL IONS; DIAGNOSTIC IMAGING SALUTAR, INC. (US) 1997-10-21 US disclosed
US-5281704-A Polychelant compounds SALUTAR, INC. (US) 1994-01-25 US disclosed