SCHEMBL30495730

SCHEMBL30495730

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.41
▸ MME P08473 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39

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
SCHEMBL30728878 0.92 MME (0.43) MMELTA4H
SCHEMBL1666827 0.92 MME (0.44) MMELTA4H
SCHEMBL1666829 0.92 MME (0.44) MMELTA4H
SCHEMBL29531330 0.92 MME (0.44) MMELTA4H
SCHEMBL31073567 0.92 BACE1 (0.42) BACE1
SCHEMBL34470345 0.91 MME (0.42) MMELTA4HOPRM1OPRD1OPRK1
Water SCHEMBL29559377 0.91 MME (0.44) MMELTA4H
SCHEMBL30656926 0.91 MMP2 (0.40) BACE1
SCHEMBL30656920 0.91 NPY4R (0.38) OPRD1
SCHEMBL29442611 0.90 MME (0.41) MMELTA4HOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190887-A1 TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-22 — — US disclosed
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