SCHEMBL30997362

SCHEMBL30997362

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.53
CTSD P07339 4/20 0.53
BACE2 Q9Y5Z0 4/20 0.49
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
FOLH1 Q04609 2/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL29816159 1.00 BACE1 (0.53) BACE1CTSDBACE2DPP4DPP8
SCHEMBL29860372 0.95 BACE1 (0.54) BACE1CTSDBACE2DPP4DPP8
SCHEMBL31372005 0.93 BACE1 (0.49) BACE1CTSDBACE2FOLH1
SCHEMBL30784938 0.91 BACE1 (0.56) BACE1CTSDBACE2DPP4DPP8
SCHEMBL31688171 0.91 BACE1 (0.56) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30361178 0.91 DPP4 (0.52) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30924861 0.91 DPP4 (0.52) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30562167 0.89 DPP4 (0.51) BACE1CTSDBACE2DPP4DPP8
SCHEMBL8529159 0.89 DPP4 (0.59) BACE1CTSDDPP4DPP8DPP9
SCHEMBL4388333 0.89 DPP4 (0.59) BACE1CTSDDPP4DPP8DPP9

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
CN-118226041-A Screening method suitable for oral small molecule peptide 上海市第六人民医院 2024-06-21 CN disclosed