SCHEMBL9408545

SCHEMBL9408545

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CES2 O00748 1/20 0.42
TACR1 P25103 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9408558 0.78 RHOC (0.48) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408665 0.78 TDP1 (0.47) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408639 0.78 TDP1 (0.47) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408542 0.75 BLM (0.44) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408615 0.75 L3MBTL1 (0.55) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408701 0.74 TDP1 (0.43) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408606 0.73 KDM4E (0.42) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408664 0.73 L3MBTL1 (0.39) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408647 0.72 RHOC (0.45) TDP1LMNAKDM4ECHRM2ADRA2A
SCHEMBL9408541 0.72 LMNA (0.65) LMNATACR1CA1CA2CA4

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
EP-0592306-A2 19F-MRI Contrast medium TERUMO KABUSHIKI KAISHA (JP) 1994-04-13 EP disclosed