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SCHEMBL30450633

SCHEMBL30450633

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.57
▸ CXCL8 P10145 10/20 0.55
▸ CALCRL Q16602 1/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ KISS1R Q969F8 3/20 0.52

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
SCHEMBL30451331 0.91 MAPK8 (0.54) DPP3CXCL8KISS1R
SCHEMBL29461598 0.89 DPP3 (0.56) DPP3CXCL8KISS1R
SCHEMBL31452902 0.85 CXCR4 (0.59) CXCL8
SCHEMBL31247325 0.85 CXCL8 (0.56) DPP3CXCL8
SCHEMBL30262141 0.85 CXCL8 (0.56) DPP3CXCL8CALCRLKISS1R
SCHEMBL30992038 0.84 CTSL (0.59) DPP3CXCL8KISS1R
SCHEMBL30690095 0.84 CAPN1 (0.54) DPP3CXCL8KISS1R
SCHEMBL30690109 0.83 CXCL8 (0.58) DPP3CXCL8
SCHEMBL31247508 0.83 CXCL8 (0.55) DPP3CXCL8SLC6A2
SCHEMBL29418184 0.83 DPP3 (0.61) DPP3CXCL8KISS1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754731-B Antioxidant polypeptide of black truffle, and preparation method and application thereof 四川丽妍工坊生物科技有限公司 2023-06-20 — — CN disclosed
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