SCHEMBL24176993

SCHEMBL24176993

CC(C)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
BLM P54132 2/20 0.65
PMP22 Q01453 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALOX15 P16050 2/20 0.65
LMNA P02545 1/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 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
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
SCHEMBL18100444 0.98 TDP1 (0.61) TDP1BLMPMP22KDM4EALOX15
SCHEMBL18292047 0.93 TDP1 (0.64) TDP1BLMPMP22KDM4EALOX15
SCHEMBL3658107 0.86 TDP1 (0.50) TDP1BLMPMP22KDM4EALOX15
SCHEMBL13936680 0.86 TDP1 (0.50) TDP1BLMPMP22KDM4EALOX15
SCHEMBL10283576 0.85 TDP1 (0.46) TDP1BLMPMP22KDM4EALOX15
SCHEMBL20158619 0.84 TDP1 (0.52) TDP1BLMPMP22KDM4EALOX15
SCHEMBL29223020 0.83 TDP1 (0.61) TDP1BLMPMP22KDM4EALOX15
SCHEMBL5618680 0.83 TDP1 (0.61) TDP1BLMPMP22KDM4EALOX15
SCHEMBL12534624 0.82 BLM (0.56) TDP1BLMPMP22KDM4EALOX15
Edetic Acid SCHEMBL20641676 0.81 TDP1 (0.74) TDP1BLMPMP22KDM4EALOX15

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
WO-2022002022-A1 RADIONUCLIDE LABEL AND USE THEREOF 北京拓界生物医药科技有限公司 2022-01-06 WO disclosed