Clobetasone Butyrate

SCHEMBL22042328

CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C.CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Clobetasone Butyrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	NR3C1 known ✓	P04150	3/20	0.64

▸	LMNA	P02545	3/20	0.69

▸	MAPT	P10636	2/20	0.69

▸	SMN1; SMN2	Q16637	2/20	0.69

▸	NPSR1	Q6W5P4	2/20	0.69

▸	NR3C2	P08235	7/20	0.64

▸	PGR	P06401	3/20	0.64

▸	KMT2A	Q03164	2/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	CYP3A4	P08684	4/20	0.52

▸	USP2	O75604	3/20	0.52

▸	MEN1	O00255	1/20	0.52

▸	MLNR	O43193	1/20	0.51

▸	NR1I2	O75469	1/20	0.51

▸	ABCB11	O95342	1/20	0.51

▸	CYP3A5	P20815	1/20	0.51

▸	PPARG	P37231	1/20	0.51

▸	CYP2D6	P10635	1/20	0.51

▸	CYP2C9	P11712	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.

Compound	similarity	top predicted	shared targets
Betamethasone Valerate SCHEMBL3670653	0.87	NR3C1 (0.70)	LMNAMAPTSMN1; SMN2NPSR1NR3C2
Halobetasol Propionate SCHEMBL4633197	0.83	PGR (0.62)	LMNAMAPTSMN1; SMN2NPSR1NR3C2
Hydrocortisone Butyrate SCHEMBL3670655	0.83	KMT2A (0.59)	LMNAMAPTSMN1; SMN2NPSR1NR3C2
Clobetasone Butyrate SCHEMBL11124627	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL29410388	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL36599	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL14339619	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL11750078	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL29572705	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1
Clobetasone Butyrate SCHEMBL448850	0.83	LMNA (1.00)	LMNAMAPTSMN1; SMN2NPSR1NR3C1

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
WO-2020116570-A1	EXTERNAL PREPARATION FOR SKIN	一般財団法人リディアオリリー記念ピアス皮膚科学振興財団	2020-06-11	—	—	WO	disclosed