Axinastatin 5

SCHEMBL8569878

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC8	Q9BY41	2/20	0.48

▸	HDAC4	P56524	1/20	0.48

▸	HDAC1	Q13547	1/20	0.48

▸	HDAC6	Q9UBN7	1/20	0.48

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.

Compound	similarity	top predicted	shared targets
Hymenistatin 1 SCHEMBL29593232	0.98	HDAC8 (0.51)	HDAC8
Hymenistatin 1 SCHEMBL25456477	0.98	HDAC8 (0.51)	HDAC8
SCHEMBL29711439	0.95	ABCB1 (0.52)	HDAC4
SCHEMBL29711638	0.94	ABCB1 (0.53)	—
SCHEMBL29349704	0.93	HDAC8 (0.54)	HDAC8HDAC4HDAC1HDAC6
Cyclolinopeptide A SCHEMBL31609181	0.90	ABCB1 (0.54)	HDAC4
Phakellistatin 12 SCHEMBL2353639	0.90	ABCB1 (0.51)	HDAC4
SCHEMBL29711614	0.89	ABCB1 (0.51)	HDAC8HDAC4HDAC1HDAC6
SCHEMBL29220474	0.89	ABCB1 (0.55)	HDAC4
SCHEMBL32676347	0.88	PSMB11 (0.53)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5801222-A	Isolation and structure of the human cancer cell growth inhibitory cyclic octapeptides phakellistatin 10 and 11	ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US)	1998-09-01	—	—	US	disclosed