SCHEMBL6443585

SCHEMBL6443585

O=C(O)CN(CCOC(=O)O)CCN(CCN(CC(=O)O)C(COCc1ccccc1)C(=O)O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
SLC1A1 P43005 1/20 0.38
FOLH1 Q04609 2/20 0.37
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
CA4 P22748 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8068485 0.92 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL8068462 0.92 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL8059292 0.92 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL29406971 0.91 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL4938839 0.91 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL1144138 0.91 MAOB (0.42) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL6443574 0.87 FOLH1 (0.46) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL7594884 0.87 SLC1A1 (0.47) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL8071514 0.87 MAOB (0.43) MAOBSLC1A1FOLH1CA1CA2
SCHEMBL29742385 0.86 MAOB (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095009-B1 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO IMAGING SPA (IT) 2005-06-15 EP disclosed
EP-1095009-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID Bracco Imaging S.p.A. (IT) 2001-05-02 EP disclosed