Sugi Predict

Sugi Predict / Compounds / Kalata B8

Kalata B8

Kalata B8

SCHEMBL30173419

CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC3=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.70
▸ ELANE P08246 4/20 0.64
▸ ITGB3 P05106 1/20 0.61
▸ ITGB1 P05556 1/20 0.61
▸ ITGAV P06756 1/20 0.61
▸ ITGA5 P08648 1/20 0.61
▸ ITGB5 P18084 1/20 0.61
▸ PLAU P00749 3/20 0.59
▸ CTSG P08311 2/20 0.58
▸ KDM4A O75164 1/20 0.58
▸ TFPI P10646 4/20 0.54
▸ PCSK9 Q8NBP7 1/20 0.54
▸ MC4R P32245 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ MC1R Q01726 1/20 0.51

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
Circulin B SCHEMBL29508758 0.89 ELANE (0.74) CACNA1BELANEITGB3ITGB1ITGAV
Cycloviolin C SCHEMBL30831410 0.88 ELANE (0.75) CACNA1BELANEITGB3ITGB1ITGAV
Palicourein SCHEMBL30178312 0.87 ELANE (0.76) CACNA1BELANEITGB3ITGB1ITGAV
Circulin C SCHEMBL29508755 0.85 ELANE (0.73) CACNA1BELANEITGB3ITGB1ITGAV
Cycloviolin B SCHEMBL30831402 0.84 ELANE (0.67) CACNA1BELANEITGB3ITGB1ITGAV
Tricyclon A SCHEMBL30132414 0.83 FLT1 (0.60) CACNA1BELANEPLAUCTSGKDM4A
Ziconotide SCHEMBL676878 0.82 CACNA1B (1.00) CACNA1BELANEITGB3ITGB1ITGAV
Ziconotide SCHEMBL29369952 0.82 CACNA1B (1.00) CACNA1BELANEITGB3ITGB1ITGAV
Cycloviolin D SCHEMBL30831405 0.82 ELANE (0.75) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolacin O15 SCHEMBL30831403 0.82 ELANE (0.68) ELANEITGB3ITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4164693-A1 NANOLIPOPROTEIN-POLYPEPTIDE CONJUGATES AND COMPOSITIONS, SYSTEMS, AND METHODS USING SAME Genentech, Inc. (US) 2023-04-19 — — EP claimed
CN-115803063-A Nanolipid protein-polypeptide conjugates and compositions, systems, and methods of use thereof 基因泰克公司 2023-03-14 — — CN claimed
EP-4378534-A2 CYCLOTIDES AS IMMUNOSUPPRESSIVE AGENTS Medizinische Universität Wien (AT) 2024-06-05 — — EP disclosed
US-20240092846-A1 ENGINEERED CYCLOTIDES WITH POTENT BROAD ANTIMICROBIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-21 — — US disclosed
US-20240059755-A1 NANOLIPOPROTEIN-POLYPEPTIDE CONJUGATES AND COMPOSITIONS, SYSTEMS, AND METHODS USING SAME GENENTECH, INC (US) 2024-02-22 — — US disclosed
EP-4164693-A1 NANOLIPOPROTEIN-POLYPEPTIDE CONJUGATES AND COMPOSITIONS, SYSTEMS, AND METHODS USING SAME Genentech, Inc. (US) 2023-04-19 — — EP disclosed
CN-115803063-A Nanolipid protein-polypeptide conjugates and compositions, systems, and methods of use thereof 基因泰克公司 2023-03-14 — — CN disclosed
CN-115697371-A Macrocyclic oligopeptides in combination with kappa opioid receptor ligands for MS therapy 维也纳医科大学 2023-02-03 — — CN disclosed
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