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Tyrocidine B1

Tyrocidine B1

SCHEMBL29489417

CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.71

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.62
▸ CD274 Q9NZQ7 1/20 0.62
▸ PCSK9 Q8NBP7 1/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC4 P56524 1/20 0.62
▸ HDAC1 Q13547 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ HDAC9 Q9UKV0 1/20 0.62
▸ HDAC5 Q9UQL6 1/20 0.62
▸ NECTIN4 Q96NY8 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ CIB1 Q99828 1/20 0.56

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
Tyrocidine B1 SCHEMBL29489416 1.00 PDCD1 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
Tyrocidine C1 SCHEMBL29489410 1.00 PDCD1 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
SCHEMBL29884329 0.98 PCSK9 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
Tyrocidine B SCHEMBL29489414 0.98 PCSK9 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
Tyrocidine C SCHEMBL29489421 0.98 PCSK9 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
Tyrocidine C SCHEMBL29489419 0.98 PCSK9 (0.62) PDCD1CD274PCSK9HDAC3HDAC4
SCHEMBL29885541 0.95 HDAC3 (0.64) PDCD1CD274PCSK9HDAC3HDAC4
Loloatin B SCHEMBL1231277 0.94 PDCD1 (0.66) PDCD1CD274PCSK9HDAC3HDAC4
Loloatin C SCHEMBL6050512 0.94 PDCD1 (0.66) PDCD1CD274PCSK9HDAC3HDAC4
Tyrocidine A1 SCHEMBL31412201 0.93 HDAC4 (0.56) PDCD1CD274PCSK9HDAC4FLT1

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
EP-3151667-B1 METHOD FOR PREVENTING OR TREATING MICROBIAL GROWTH ON A MANUFACTURED PRODUCT UNIV STELLENBOSCH (ZA) 2022-04-06 — — EP disclosed