SCHEMBL30847600

SCHEMBL30847600

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.52
▸ CTSD P07339 5/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ ECE1 P42892 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
SCHEMBL31575699 0.96 BACE1 (0.53) BACE1CTSDBACE2DPP4DPP8
SCHEMBL29816325 0.96 BACE1 (0.53) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30261690 0.94 FOLH1 (0.51) BACE1CTSDBACE2DPP4DPP8
SCHEMBL31571446 0.94 BACE1 (0.58) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30974319 0.92 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL31571453 0.92 BACE1 (0.51) BACE1CTSDBACE2DPP4DPP8
SCHEMBL29630433 0.92 MME (0.50) BACE1CTSDBACE2DPP4DPP8
SCHEMBL31753747 0.91 BACE1 (0.53) BACE1CTSDBACE2DPP4DPP8
SCHEMBL29679529 0.91 BACE1 (0.53) BACE1CTSDBACE2DPP4DPP8
SCHEMBL30722468 0.89 FOLH1 (0.51) BACE1CTSDBACE2

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
CN-117720620-B Small molecule polypeptide, pharmaceutical composition thereof and pharmaceutical application thereof 无锡市儿童医院 2024-07-23 — — CN disclosed
CN-117720620-A Small molecule polypeptide, pharmaceutical composition thereof and pharmaceutical application thereof 无锡市儿童医院 2024-03-19 — — CN disclosed
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