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Sugi Predict / Compounds / SCHEMBL30437176

SCHEMBL30437176

SCHEMBL30437176

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 4/20 0.60
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ IL23R Q5VWK5 7/20 0.60
▸ PTH1R Q03431 5/20 0.60
▸ CCKBR P32239 3/20 0.59
▸ NR3C1 P04150 2/20 0.57

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
SCHEMBL29695574 0.91 CCKBR (0.67) IL23RPTH1RCCKBR
SCHEMBL30495731 0.91 GLP1R (0.64) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL30495589 0.90 IL23R (0.67) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL31688306 0.88 GLP1R (0.60) GLP1RGCGRGIPRPTH1R
SCHEMBL29383678 0.88 GLP1R (0.77) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL30436108 0.87 GLP1R (0.62) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL30712948 0.87 GLP1R (0.66) GLP1RIL23RCCKBRNR3C1
SCHEMBL30567715 0.86 GLP1R (0.62) GLP1RIL23RCCKBR
SCHEMBL31000919 0.86 GLP1R (0.76) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL30906378 0.86 CCKBR (0.67) GLP1RGCGRGIPRIL23RCCKBR

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-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
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