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Gratisin

Gratisin

SCHEMBL29885076

CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 7/20 0.58
▸ NTSR1 P30989 4/20 0.53
▸ HDAC1 Q13547 5/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ OXTR P30559 1/20 0.52
▸ PLG P00747 1/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ ITGB5 P18084 1/20 0.51
▸ FLT1 P17948 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
SCHEMBL29380803 0.95 HDAC4 (0.61) HDAC4HDAC1HDAC6HDAC3HDAC7
Gramicidin S SCHEMBL135010 0.95 HDAC4 (0.61) HDAC4HDAC1HDAC6HDAC3HDAC7
Gramicidin S SCHEMBL15308375 0.95 HDAC4 (0.61) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL29368119 0.95 NTSR1 (0.57) HDAC4NTSR1HDAC1HDAC6HDAC3
SCHEMBL29367084 0.95 NTSR1 (0.57) HDAC4NTSR1HDAC1HDAC6HDAC3
Gramicidin S SCHEMBL29689215 0.95 HDAC4 (0.60) HDAC4HDAC1HDAC6HDAC3HDAC7
Loloatin A SCHEMBL6050533 0.93 FLT1 (0.56) HDAC4PLGITGB3ITGB1ITGAV
Laterocidin SCHEMBL29824961 0.93 FLT1 (0.56) HDAC4PLGITGB3ITGB1ITGAV
Tyrocidine A SCHEMBL16418974 0.93 HDAC4 (0.55) HDAC4PLGITGB3ITGB1ITGAV
Tyrocidine A SCHEMBL14399288 0.93 HDAC4 (0.55) HDAC4PLGITGB3ITGB1ITGAV

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
EP-4687444-A1 IMPROVED WAXY DELIVERY FORMS FOR OILY AGRONOMIC ACTIVE INGREDIENTS AND METHOD OF PREPARATION CLEVER BIOSCIENCE S.R.L. (IT) 2026-02-11 — — EP disclosed
WO-2024208945-A1 IMPROVED WAXY DELIVERY FORMS FOR OILY AGRONOMIC ACTIVE INGREDIENTS AND METHOD OF PREPARATION CLEVER BIOSCIENCE S.R.L. (IT) 2024-10-10 — — WO disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 — — US disclosed
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