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SCHEMBL30437302

SCHEMBL30437302

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.54
▸ KEAP1 Q14145 1/20 0.49
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ BACE1 P56817 2/20 0.47
▸ GLP1R P43220 3/20 0.46
▸ SCTR P47872 1/20 0.46
▸ GRPR P30550 2/20 0.46

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
SCHEMBL30184234 0.92 CALCR (0.49) CALCRBACE1GLP1RSCTRGRPR
SCHEMBL30772230 0.90 CALCR (0.60) CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL30184074 0.89 CALCR (0.48) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL31622472 0.89 CALCR (0.55) CALCRBACE1GLP1RSCTR
SCHEMBL34460635 0.89 CALCR (0.55) CALCRBACE1GLP1RSCTR
SCHEMBL30865080 0.89 F2 (0.49) CALCRCRHR1CRHR2BACE1GLP1R
SCHEMBL30865070 0.89 GLP1R (0.47) CALCRBACE1GLP1RSCTRGRPR
SCHEMBL30218810 0.88 CALCR (0.48) CALCRCRHR1CRHR2BACE1GLP1R
SCHEMBL29617104 0.88 CALCR (0.49) CALCRKEAP1CRHR1CRHR2BACE1
SCHEMBL31622473 0.87 CALCR (0.55) CALCRBACE1GLP1RSCTR

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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