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Sugi Predict / Compounds / SCHEMBL29618035

SCHEMBL29618035

SCHEMBL29618035

CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CS)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 14/20 0.72
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ IL23R Q5VWK5 1/20 0.59
▸ C5AR1 P21730 1/20 0.58
▸ NPBWR1 P48145 2/20 0.57

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
SCHEMBL31650839 0.95 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30527936 0.89 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416039 0.89 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31707333 0.89 CXCR4 (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31011012 0.89 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29461541 0.88 NPY1R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452905 0.88 CXCR4 (0.62) CXCR4IL23RC5AR1
SCHEMBL29625326 0.88 NPY1R (0.72) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29672871 0.88 IL23R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658215 0.87 NPY1R (0.72) 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137943-A Silkworm DNA 6mA methylation modification system and application thereof 西部(重庆)科学城种质创制大科学中心 2025-06-13 — — CN claimed
CN-120137942-A Silkworm RNA m6A methylation modification system and application thereof 西部(重庆)科学城种质创制大科学中心 2025-06-13 — — CN claimed
CN-118127213-A Molecular marker primer group based on magnolia officinalis and magnolia officinalis transcriptome sequencing and application 绵阳师范学院 2024-06-04 — — CN claimed
CN-116579182-A Reliability prediction method for spacecraft thermal control system 航天科工空间工程发展有限公司 2023-08-11 — — CN claimed
CN-116558936-A Air inlet drying and constant temperature device of NDIR sensor and control method thereof 西南石油大学 2023-08-08 — — CN claimed
WO-2023141733-A1 METHOD FOR PRODUCING SHELLFISH FLOUR, METHOD FOR EXTRACTING NUTRITIONAL COMPONENTS, AND FOOD SUPPLEMENT ATACAMA MEALS SPA (CL) 2023-08-03 — — WO claimed
WO-2022203490-A1 ACID FORMULATION AND USE THEREOF AS AN AGENT FOR REMOVING CALCIUM CARBONATE-BASED SCALE CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO claimed
WO-2022203491-A1 SURFACTANT-BASED FORMULATION AND USE THEREOF AS A POLYMER-REMOVAL AGENT CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO claimed
WO-2022203497-A1 CHELATING AGENT-BASED FORMULATION AND USE THEREOF AS AN AGENT FOR DISSOLVING INORGANIC DEPOSITS IN OIL FIELDS CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO claimed
CN-114540388-A Insect cell expression system vector recombinant plasmid and preparation method and application thereof 武汉生物工程学院 2022-05-27 — — CN claimed
US-12344683-B2 Process for producing a prepolymerized solid Ziegler-Natta catalyst BOREALIS AG (AT) 2025-07-01 — — US disclosed
CN-120137943-A Silkworm DNA 6mA methylation modification system and application thereof 西部(重庆)科学城种质创制大科学中心 2025-06-13 — — CN disclosed
CN-120137942-A Silkworm RNA m6A methylation modification system and application thereof 西部(重庆)科学城种质创制大科学中心 2025-06-13 — — CN disclosed
CN-120118904-A Plutella xylostella endogenous promoter and application thereof 湖南省植物保护研究所 2025-06-10 — — CN disclosed
CN-119885303-A Photovoltaic inclination optimization method and device for tea light complementary project and storage medium 华能江苏综合能源服务有限公司 2025-04-25 — — CN disclosed
WO-2022203490-A1 ACID FORMULATION AND USE THEREOF AS AN AGENT FOR REMOVING CALCIUM CARBONATE-BASED SCALE CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO disclosed
WO-2022203491-A1 SURFACTANT-BASED FORMULATION AND USE THEREOF AS A POLYMER-REMOVAL AGENT CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO disclosed
WO-2022203497-A1 CHELATING AGENT-BASED FORMULATION AND USE THEREOF AS AN AGENT FOR DISSOLVING INORGANIC DEPOSITS IN OIL FIELDS CHEMISERVIS, S.A. DE C.V. (MX) 2022-09-29 — — WO disclosed
CN-114540388-A Insect cell expression system vector recombinant plasmid and preparation method and application thereof 武汉生物工程学院 2022-05-27 — — CN disclosed
CN-114540388-A Insect cell expression system vector recombinant plasmid and preparation method and application thereof 武汉生物工程学院 2022-05-27 — — CN disclosed
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