SCHEMBL8700152

SCHEMBL8700152

CC(O)N(CCN(CCN(CCN(CCN(C(C)O)C(C)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
BLM P54132 2/20 0.58
PMP22 Q01453 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
EYA2 O00167 1/20 0.54
APP P05067 1/20 0.54
ACE P12821 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
SCHEMBL20392633 0.83 TDP1 (0.65) TDP1BLMPMP22KDM4ELMNA
Edetic Acid SCHEMBL20641676 0.81 TDP1 (0.74) TDP1BLMPMP22KDM4ELMNA
SCHEMBL186528 0.79 TDP1 (0.39) TDP1BLMPMP22KDM4ELMNA
Edetic Acid SCHEMBL1436905 0.77 TDP1 (0.67) TDP1BLMPMP22KDM4ELMNA
SCHEMBL641166 0.77 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL3901854 0.77 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
Ammonia Solution, Strong SCHEMBL3916100 0.77 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
SCHEMBL1322891 0.77 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
SCHEMBL11295988 0.77 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
Pentetic Acid SCHEMBL28185518 0.76 TDP1 (0.88) TDP1BLMPMP22KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804163-A Contrast agents for magnetic resonance imaging aminosaccharide MAGNETIC RESEARCH, INC. (US) 1998-09-08 US disclosed
US-5804163-A Contrast agents for magnetic resonance imaging aminosaccharide MAGNETIC RESEARCH, INC. (US) 1998-09-08 US disclosed
US-5330743-A Aminosaccharide contrast agents for magnetic resonance images MAGNETIC RESEARCH, INC. (US) 1994-07-19 US disclosed
US-5330743-A Aminosaccharide contrast agents for magnetic resonance images MAGNETIC RESEARCH, INC. (US) 1994-07-19 US disclosed