SCHEMBL8068485

SCHEMBL8068485

O=C(O)CN(CCN(CC(=O)O)[C@H](COCc1ccccc1)C(=O)O)CCN(CC(=O)O)[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
SLC1A1 P43005 1/20 0.43
FOLH1 Q04609 1/20 0.41
CA1 P00915 8/20 0.39
CA2 P00918 6/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
PPARA Q07869 2/20 0.39
CA4 P22748 2/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8068462 1.00 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL8059292 1.00 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL29406971 0.99 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL1144138 0.99 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL4938839 0.99 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL6443574 0.95 FOLH1 (0.46) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL7594884 0.95 SLC1A1 (0.47) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL29742385 0.94 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL8059372 0.93 SLC1A1 (0.44) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL6443585 0.92 MAOB (0.38) MAOBSLC1A1FOLH1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822180-B1 Chelating compounds, their chelates with paramagnetic metal ions, their preparation and use BRACCO SPA (IT) 2000-10-25 EP claimed
EP-0822180-A1 Chelating compounds, their chelates with paramagnetic metal ions, their preparation and use BRACCO S.p.A. (IT) 1998-02-04 EP claimed
EP-0822180-B1 Chelating compounds, their chelates with paramagnetic metal ions, their preparation and use BRACCO SPA (IT) 2000-10-25 EP disclosed
US-6099824-A USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2000-08-08 US disclosed
EP-0822180-A1 Chelating compounds, their chelates with paramagnetic metal ions, their preparation and use BRACCO S.p.A. (IT) 1998-02-04 EP disclosed