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Sugi Predict / Compounds / SCHEMBL18286725

SCHEMBL18286725

SCHEMBL18286725

C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.46
▸ PTPN1 P18031 3/20 0.45
▸ LTA4H P09960 2/20 0.42
▸ MME P08473 1/20 0.41

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
SCHEMBL30799430 0.92 BACE1 (0.45) BACE1PTPN1LTA4H
SCHEMBL30974011 0.92 OPRD1 (0.49) —
SCHEMBL30799841 0.91 BACE1 (0.53) BACE1PTPN1LTA4H
SCHEMBL30799481 0.91 BACE1 (0.51) BACE1PTPN1LTA4HMME
SCHEMBL30799953 0.90 BACE1 (0.51) BACE1
SCHEMBL30475883 0.90 PTPN1 (0.51) BACE1PTPN1
SCHEMBL30799262 0.89 BACE1 (0.51) BACE1PTPN1
SCHEMBL18752938 0.89 LTA4H (0.40) BACE1PTPN1LTA4HMME
SCHEMBL31534594 0.89 MME (0.46) MME
SCHEMBL30475879 0.89 MME (0.46) MME

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-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 — — EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 — — EP disclosed
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