SCHEMBL30242230

SCHEMBL30242230

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.57
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51
▸ ENPEP Q07075 5/20 0.51
▸ CTSD P07339 2/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL31134498 0.93 ENPEP (0.57) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30182817 0.93 BACE1 (0.58) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30704395 0.92 ENPEP (0.51) BACE1ENPEP
SCHEMBL31554822 0.92 GRIN2D (0.51) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29414635 0.92 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL31554823 0.91 GRIN2D (0.57) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30170480 0.90 BACE1 (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30512610 0.90 BACE1 (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31514347 0.89 GRIN2D (0.59) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31285037 0.89 GRIN2D (0.60) BACE1GRIN2DGRIN3BGRIN1GRIN2A

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-115697069-A Hypoallergenic recombinant milk proteins and compositions comprising the same 完美日股份有限公司 2023-02-03 — — CN disclosed
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