SCHEMBL31301129

C[C@]12C(=O)C=CCC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@H](CO[C@]16O[C@@]32[C@H]5C6=O)C(=O)O4

nearest known ligand 0.79

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	GLI1	P08151	5/20	0.79

▸	NFKBIA	P25963	4/20	0.79

▸	IDH1	O75874	2/20	0.79

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
Physalin B SCHEMBL15856980	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin B SCHEMBL28386436	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin B SCHEMBL15853692	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin B SCHEMBL504410	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin B SCHEMBL15853699	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin B SCHEMBL30775538	0.88	GLI1 (1.00)	GLI1NFKBIAIDH1
Physalin O SCHEMBL15853705	0.85	GLI1 (0.59)	GLI1NFKBIAIDH1
Physalin O SCHEMBL15857092	0.85	GLI1 (0.59)	GLI1NFKBIAIDH1
Physalin O SCHEMBL30315268	0.85	GLI1 (0.59)	GLI1NFKBIAIDH1
SCHEMBL29449475	0.82	GLI1 (0.71)	GLI1NFKBIAIDH1

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-119386095-A	Withanolides active component in calyx seu fructus physalis, and extraction method and application thereof	山东大学	2025-02-07	—	—	CN	disclosed