SCHEMBL29471298

SCHEMBL29471298

N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.38
▸ TGFBR1 P36897 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ AKR1B1 P15121 1/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.31

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
SCHEMBL29777856 0.99 MME (0.39) MMETGFBR1SLC15A2BACE1AKR1B1
SCHEMBL29630315 0.98 MME (0.36) MMESLC15A2
SCHEMBL29590288 0.98 MME (0.36) MMESLC15A2
SCHEMBL29630312 0.95 MME (0.34) MMESLC15A2CPB2
SCHEMBL30272502 0.95 MME (0.34) MMESLC15A2CPB2
SCHEMBL38661411 0.94 MME (0.39) MMETGFBR1SLC15A2BACE1AKR1B1
SCHEMBL30253800 0.94 MME (0.39) MMETGFBR1SLC15A2BACE1AKR1B1
SCHEMBL30559586 0.93 MME (0.36) MMECPB2
SCHEMBL2132240 0.93 MME (0.36) MMECPB2
SCHEMBL2132230 0.93 MME (0.36) MMECPB2

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-3688175-B1 GENETICALLY MODIFIED ISOPROPYLMALATE ISOMERASE ENZYME COMPLEXES AND PROCESSES TO PREPARE ELONGATED 2-KETOACIDS AND C5-C10 COMPOUNDS THEREWITH DOW GLOBAL TECHNOLOGIES LLC (US) 2024-03-13 — — EP disclosed
US-11898181-B2 Genetically modified isopropylmalate isomerase enzyme complexes and processes to prepare elongated 2-ketoacids and C5-C10 compounds therewith DOW GLOBAL TECHNOLOGIES LLC 2024-02-13 — — US disclosed
US-20220098567-A1 GENETICALLY MODIFIED ISOPROPYLMALATE ISOMERASE ENZYME COMPLEXES AND PROCESSES TO PREPARE ELONGATED 2-KETOACIDS AND C5-C10 COMPOUNDS THEREWITH DOW GLOBAL TECHNOLOGIES LLC (US) 2022-03-31 — — US disclosed
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