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Sugi Predict / Compounds / Cycloviolacin O14

Cycloviolacin O14

Cycloviolacin O14

SCHEMBL30831407

CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]5CCCN5C1=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.67
▸ ST14 Q9Y5Y6 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.59
▸ PLG P00747 1/20 0.58
▸ ITGB3 P05106 1/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ ITGA5 P08648 1/20 0.56
▸ ITGB5 P18084 1/20 0.56
▸ FURIN P09958 1/20 0.55
▸ NECTIN4 Q96NY8 3/20 0.54
▸ TFPI P10646 2/20 0.54
▸ CACNA1B Q00975 1/20 0.53
▸ EPHA2 P29317 2/20 0.53
▸ MC4R P32245 1/20 0.52
▸ MC1R Q01726 1/20 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
Cycloviolacin O15 SCHEMBL30831403 0.94 ELANE (0.68) ELANEST14SLC6A3PLGITGB3
Psyle A SCHEMBL30497730 0.94 ELANE (0.72) ELANEST14SLC6A3PLGITGB3
Cycloviolin C SCHEMBL30831410 0.92 ELANE (0.75) ELANEST14SLC6A3ITGB3ITGB1
Palicourein SCHEMBL30178312 0.91 ELANE (0.76) ELANEST14SLC6A3ITGB3ITGB1
Cycloviolin B SCHEMBL30831402 0.90 ELANE (0.67) ELANEST14SLC6A3PLGITGB3
Circulin C SCHEMBL29508755 0.89 ELANE (0.73) ELANEST14SLC6A3PLGITGB3
Cycloviolin D SCHEMBL30831405 0.89 ELANE (0.75) ELANEST14SLC6A3PLGITGB3
Circulin B SCHEMBL29508758 0.89 ELANE (0.74) ELANEST14PLGITGB3ITGB1
Cyclopsychotride A SCHEMBL30116118 0.87 ELANE (0.61) ELANEST14SLC6A3PLGITGB3
Violacin A SCHEMBL29519675 0.87 ELANE (0.70) ELANEST14SLC6A3PLGITGB3

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
US-20240269230-A1 CYCLOTIDES IN COMBINATION WITH KAPPA OPIOID RECEPTOR LIGANDS FOR MS THERAPY MEDIZINISCHE UNIVERSITAT WIEN (AT) 2024-08-15 — — US 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
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