SCHEMBL30575173

SCHEMBL30575173

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ BACE1 P56817 7/20 0.42
▸ NOD1 Q9Y239 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ TASP1 Q9H6P5 1/20 0.39
▸ PDCD1LG2 Q9BQ51 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MME P08473 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
SCHEMBL29725305 0.95 DPP4 (0.49) DPP4DPP8DPP9BACE1NOD1
SCHEMBL29377291 0.91 BACE1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30462198 0.91 DPP4 (0.52) DPP4DPP8DPP9BACE1NOD1
SCHEMBL30575184 0.91 DPP4 (0.46) DPP4DPP8DPP9BACE1NOD1
SCHEMBL30099496 0.90 BACE1 (0.47) BACE1CTSD
SCHEMBL29978904 0.90 DPP4 (0.49) DPP4DPP8DPP9BACE1NOD1
SCHEMBL30591036 0.88 DPP4 (0.52) DPP4DPP8DPP9BACE1NOD1
SCHEMBL30555615 0.87 MME (0.45) NOD1TGFBR1PDCD1LG2CD274MME
SCHEMBL30233503 0.87 KMT2A (0.47) DPP4DPP8DPP9NOD1TGFBR1
SCHEMBL30552712 0.87 MME (0.47) NOD1TGFBR1PDCD1LG2CD274MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769860-A Enzymatic hydrolysis of crayfish shells, oligopeptide family extracted from crayfish shells and application of crayfish shells 奇明达(北京)植物药物技术开发有限公司 2023-09-19 — — CN claimed
CN-116769860-A Enzymatic hydrolysis of crayfish shells, oligopeptide family extracted from crayfish shells and application of crayfish shells 奇明达(北京)植物药物技术开发有限公司 2023-09-19 — — CN disclosed
CN-116769860-A Enzymatic hydrolysis of crayfish shells, oligopeptide family extracted from crayfish shells and application of crayfish shells 奇明达(北京)植物药物技术开发有限公司 2023-09-19 — — CN disclosed
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