SCHEMBL18970106

SCHEMBL18970106

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
PIK3CD O00329 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22730594 1.00 SLC6A9 (0.34) SLC6A9HSD17B10KDM4EALDH1A1USP2
SCHEMBL18970127 0.94 TDP1 (0.34) SLC6A9HSD17B10KDM4EALDH1A1USP2
SCHEMBL22730606 0.94 TDP1 (0.34) SLC6A9HSD17B10KDM4EALDH1A1USP2
SCHEMBL18970114 0.94 TDP1 (0.34) SLC6A9HSD17B10KDM4EALDH1A1USP2
SCHEMBL18970104 0.93 HSD17B10 (0.38) SLC6A9HSD17B10KDM4EALDH1A1USP2
SCHEMBL18970241 0.87 SLC6A9 (0.36) SLC6A9HSD17B10KDM4EALDH1A1KMT2A
SCHEMBL18970111 0.87 TDP1 (0.39) SLC6A9HSD17B10KDM4EALDH1A1ALOX15
SCHEMBL18975209 0.83 MAPT (0.31) SLC6A9KDM4EALDH1A1USP2ALOX15
SCHEMBL22808775 0.82 KMT2A (0.32) KDM4EALDH1A1KMT2AMEN1
SCHEMBL22730569 0.82 MAPT (0.30) SLC6A9

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