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Cycloviolin B

Cycloviolin B

SCHEMBL30831402

CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC3=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N2

nearest known ligand 0.67

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.67
▸ ITGB3 P05106 1/20 0.64
▸ ITGB1 P05556 1/20 0.64
▸ ITGAV P06756 1/20 0.64
▸ ITGA5 P08648 1/20 0.64
▸ ITGB5 P18084 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.62
▸ TFPI P10646 4/20 0.60
▸ ST14 Q9Y5Y6 1/20 0.58
▸ CACNA1B Q00975 1/20 0.55
▸ PLG P00747 1/20 0.55
▸ PCSK9 Q8NBP7 1/20 0.55
▸ MC4R P32245 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ MC3R P41968 1/20 0.54
▸ TCF4 P15884 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ KLKB1 P03952 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
Psyle A SCHEMBL30497730 0.91 ELANE (0.72) ELANEITGB3ITGB1ITGAVITGA5
Palicourein SCHEMBL30178312 0.91 ELANE (0.76) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolacin O15 SCHEMBL30831403 0.90 ELANE (0.68) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolacin O14 SCHEMBL30831407 0.90 ELANE (0.67) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolin C SCHEMBL30831410 0.90 ELANE (0.75) ELANEITGB3ITGB1ITGAVITGA5
Circulin C SCHEMBL29508755 0.89 ELANE (0.73) ELANEITGB3ITGB1ITGAVITGA5
Circulin B SCHEMBL29508758 0.88 ELANE (0.74) ELANEITGB3ITGB1ITGAVITGA5
Cycloviolin D SCHEMBL30831405 0.88 ELANE (0.75) ELANEITGB3ITGB1ITGAVITGA5
Cyclopsychotride A SCHEMBL30116118 0.87 ELANE (0.61) ELANEITGB3ITGB1ITGAVITGA5
Mibenratide SCHEMBL29534419 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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