SCHEMBL6443574

SCHEMBL6443574

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.46
MAOB P27338 2/20 0.40
SLC1A1 P43005 1/20 0.40
PPARA Q07869 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 5/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
EPOR P19235 1/20 0.36
CA4 P22748 3/20 0.36
CA12 O43570 1/20 0.35

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 0.95 MAOB (0.43) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL8059292 0.95 MAOB (0.43) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL8068485 0.95 MAOB (0.43) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL1144138 0.94 MAOB (0.42) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL29406971 0.94 MAOB (0.42) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL4938839 0.94 MAOB (0.42) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL7594884 0.90 SLC1A1 (0.47) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL29742385 0.89 MAOB (0.42) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL8059372 0.89 SLC1A1 (0.44) FOLH1MAOBSLC1A1PPARACA1
SCHEMBL6443585 0.87 MAOB (0.38) FOLH1MAOBSLC1A1PPARACA1

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
CN-113209304-B Chelated calcium self-assembled nano particle and preparation method and application thereof 复旦大学附属金山医院(上海市金山区核化伤害应急救治中心、上海市金山区眼病防治所) 2023-01-24 CN disclosed
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