Sugi Predict

Sugi Predict / Compounds / SCHEMBL30285072

SCHEMBL30285072

SCHEMBL30285072

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.60
▸ IL23R Q5VWK5 1/20 0.58
▸ CXCL8 P10145 6/20 0.56
▸ C5AR1 P21730 1/20 0.56
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ EPHA2 P29317 1/20 0.54
▸ APLNR P35414 1/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53

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
SCHEMBL30284926 0.98 CXCR4 (0.59) CXCR4IL23RCXCL8C5AR1CTSL
SCHEMBL31154425 0.90 CXCR4 (0.65) CXCR4IL23RC5AR1CTSLCTSS
SCHEMBL31482415 0.89 CXCR4 (0.56) CXCR4IL23RCXCL8C5AR1EPHA2
SCHEMBL29533141 0.88 CXCR4 (0.64) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30415481 0.86 CXCR4 (0.62) CXCR4IL23RC5AR1APLNRNPY1R
SCHEMBL31409438 0.85 CXCR4 (0.63) CXCR4IL23RCXCL8NPY1RNPY2R
SCHEMBL31452904 0.85 CTSL (0.62) CXCR4IL23RCXCL8CTSLCTSS
SCHEMBL30355012 0.85 C5AR1 (0.63) CXCR4CXCL8C5AR1CTSLCTSS
SCHEMBL31409436 0.84 CXCR4 (0.63) CXCR4IL23RCXCL8NPY1RNPY2R
SCHEMBL29546449 0.84 C5AR1 (0.56) CXCR4IL23RCXCL8C5AR1

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-115785219-A Bran active peptide with function of relieving metabolic syndrome as well as preparation method and application thereof 山西大学 2023-03-14 — — CN disclosed
CN-115785219-A Bran active peptide with function of relieving metabolic syndrome as well as preparation method and application thereof 山西大学 2023-03-14 — — CN disclosed
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