Pseudostellarin H

SCHEMBL31295693

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.55

▸	HDAC4	P56524	3/20	0.53

▸	GHSR	Q92847	2/20	0.53

▸	ITGB3	P05106	2/20	0.51

▸	ITGAV	P06756	2/20	0.51

▸	ITGB5	P18084	2/20	0.51

▸	ITGB1	P05556	1/20	0.51

▸	ITGA5	P08648	1/20	0.51

▸	ST14	Q9Y5Y6	1/20	0.47

▸	TCF4	P15884	1/20	0.47

▸	CTNNB1	P35222	1/20	0.47

▸	PIN1	Q13526	1/20	0.47

▸	NFE2L2	Q16236	1/20	0.47

▸	HDAC1	Q13547	1/20	0.46

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
SCHEMBL29779766	0.93	KEAP1 (0.55)	KEAP1HDAC4GHSRITGB3ITGAV
SCHEMBL29412929	0.85	HDAC4 (0.54)	HDAC4GHSR
Planktocyclin SCHEMBL29636501	0.84	ITGB3 (0.47)	KEAP1HDAC4GHSRITGB3ITGAV
SCHEMBL29779778	0.84	GHSR (0.52)	HDAC4GHSRITGB3ITGAVITGB5
SCHEMBL28240936	0.84	GHSR (0.52)	HDAC4GHSRITGB3ITGAVITGB5
SCHEMBL24739370	0.83	KEAP1 (0.46)	KEAP1ITGB3ITGAVITGB1ITGA5
SCHEMBL24614262	0.83	HDAC4 (0.66)	HDAC4GHSRHDAC1
Segetalin D SCHEMBL151348	0.83	HDAC4 (0.54)	KEAP1HDAC4GHSRHDAC1
SCHEMBL29884582	0.82	HDAC4 (0.60)	HDAC4GHSRHDAC1
SCHEMBL30576709	0.82	HDAC4 (0.58)	HDAC4ITGB3ITGAVITGA5HDAC1

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
CN-119120523-A	Radix pseudostellariae proline oligopeptidase gene PhPOP1 and application thereof	贵州中医药大学	2024-12-13	—	—	CN	disclosed