SCHEMBL30426495

SCHEMBL30426495

CC[C@@H](C)[C@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.50
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC2 Q92769 4/20 0.50
▸ HDAC10 Q969S8 4/20 0.50
▸ HDAC11 Q96DB2 4/20 0.50
▸ SOAT2 O75908 4/20 0.49
▸ SOAT1 P35610 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.47
▸ NCOR1 O75376 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ ITGB1 P05556 2/20 0.45
▸ ITGA4 P13612 2/20 0.45
▸ ITGB2 P05107 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ ITGAM P11215 1/20 0.45
▸ SRC P12931 1/20 0.45

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
SCHEMBL30317494 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30317520 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL38652044 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30317633 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29905030 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL31603772 0.97 SOAT2 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30317658 0.97 SOAT2 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL31603773 0.97 SOAT2 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30317492 0.94 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30317481 0.90 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806907-A Streptomyces abyssochliae, preparation method and application of anti-feeding and antifungal active substance thereof 中国科学院沈阳应用生态研究所 2023-03-17 — — CN claimed
CN-122011118-A Microorganism-derived cyclic octapeptide compound and application thereof 中国科学院沈阳应用生态研究所 2026-05-12 — — CN disclosed
CN-115806907-A Streptomyces abyssochliae, preparation method and application of anti-feeding and antifungal active substance thereof 中国科学院沈阳应用生态研究所 2023-03-17 — — CN disclosed
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