Sugi Predict

Sugi Predict / Compounds / SCHEMBL29893780

SCHEMBL29893780

SCHEMBL29893780

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.53
▸ OPRM1 P35372 7/20 0.53
▸ OPRK1 P41145 3/20 0.53
▸ CTSB P07858 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
SCHEMBL30517753 0.87 LTA4H (0.53) —
SCHEMBL29782800 0.87 OPRD1 (0.55) OPRD1OPRM1OPRK1CTSB
SCHEMBL30659881 0.85 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL29531754 0.84 MME (0.50) —
SCHEMBL27691470 0.84 LTA4H (0.55) OPRD1OPRM1OPRK1
SCHEMBL9617697 0.84 LTA4H (0.55) OPRD1OPRM1OPRK1
SCHEMBL9617696 0.84 LTA4H (0.55) OPRD1OPRM1OPRK1
SCHEMBL30728889 0.84 MME (0.50) —
SCHEMBL29592282 0.83 OPRD1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL30799848 0.82 OPRM1 (0.54) OPRD1OPRM1OPRK1

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-110074377-B Flavor development peptide and preparation method and application thereof 华南理工大学 2022-10-25 — — CN claimed
CN-110074377-B Flavor development peptide and preparation method and application thereof 华南理工大学 2022-10-25 — — CN disclosed
CN-110074377-B Flavor development peptide and preparation method and application thereof 华南理工大学 2022-10-25 — — CN disclosed
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