Sugi Predict

Sugi Predict / Compounds / SCHEMBL30423265

SCHEMBL30423265

SCHEMBL30423265

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.65
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ GLP1R P43220 4/20 0.58
▸ GCGR P47871 4/20 0.58
▸ GIPR P48546 1/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ NMBR P28336 2/20 0.56
▸ GRPR P30550 2/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ APLNR P35414 1/20 0.55

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
SCHEMBL31182672 0.92 C5AR1 (0.63) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30883276 0.92 CTSL (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31307939 0.88 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31183002 0.88 CXCR4 (0.71) CXCR4GLP1RGCGRGIPRC5AR1
SCHEMBL30862329 0.88 CXCR4 (0.69) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30800087 0.88 NPY1R (0.71) CXCR4GLP1RGCGRNPY1RNPY2R
SCHEMBL30262205 0.87 CTSL (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30712926 0.87 GLP1R (0.67) GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL15987247 0.87 CXCR4 (0.81) CXCR4GLP1RGCGRC5AR1
SCHEMBL31182727 0.87 KDM1A (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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