SCHEMBL18970127

SCHEMBL18970127

O=C(O)CN1CCN(CC(=O)O)CCN(C(=O)O)CCN(CC(O)CN(CCN(CC(=O)O)CC(O)CN2CCN(CC(=O)O)CCN(C(=O)O)CCN(C(=O)O)CC2)CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.33
PIK3CD O00329 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL22730606 1.00 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL18970114 1.00 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL22730594 0.94 SLC6A9 (0.34) TDP1KDM4EALOX15PIK3CDSLC6A9
SCHEMBL18970106 0.94 SLC6A9 (0.34) TDP1KDM4EALOX15PIK3CDSLC6A9
SCHEMBL18970111 0.93 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL18970104 0.87 HSD17B10 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL22808775 0.87 KMT2A (0.32) KDM4EALDH1A1MEN1KMT2A
SCHEMBL22730603 0.85 KDM4E (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL18970241 0.84 SLC6A9 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL20280987 0.81 KDM4E (0.34) KDM4EALOX15BLMPMP22HSD17B10

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-3753929-A1 DIMERIC CONTRAST AGENTS Bracco Imaging SPA (IT) 2020-12-23 EP disclosed
EP-3386954-B1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2020-12-02 EP disclosed
WO-2017098044-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed