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Sugi Predict / Compounds / SCHEMBL30423138

SCHEMBL30423138

SCHEMBL30423138

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 14/20 0.69
▸ NPY1R P25929 1/20 0.67
▸ NPY2R P49146 1/20 0.67
▸ NPY4R P50391 1/20 0.67
▸ NPY5R Q15761 1/20 0.67
▸ CALCA P06881 2/20 0.66
▸ C5AR1 P21730 1/20 0.60

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
SCHEMBL30426605 0.90 NPY2R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30883231 0.90 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182815 0.89 NPY2R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495767 0.89 NPY1R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30423525 0.89 NPY2R (0.72) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182712 0.89 NPY2R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31745555 0.89 C5AR1 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949636 0.89 NPY1R (0.71) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30423449 0.88 NPY2R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29437877 0.88 GLP1R (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R

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-110199029-B Method for preparing rebaudioside C by enzyme method 百事可乐公司 2023-09-05 — — CN disclosed
CN-110177881-B Method for preparing rebaudioside J by enzyme method 百事可乐公司 2023-06-02 — — CN disclosed
CN-109890973-B Method for preparing rebaudioside N by enzyme method 百事可乐公司 2023-05-23 — — CN disclosed
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