Halobetasol Propionate

SCHEMBL4288075

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

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

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	NR3C1 known ✓	P04150	9/20	0.61

▸	PGR	P06401	7/20	0.63

▸	AR	P10275	5/20	0.63

▸	ADRA1A	P35348	2/20	0.63

▸	ADORA3	P0DMS8	2/20	0.63

▸	CHRM1	P11229	1/20	0.63

▸	CYP3A4	P08684	8/20	0.61

▸	HIF1A	Q16665	5/20	0.61

▸	ABCB11	O95342	3/20	0.61

▸	SMN1; SMN2	Q16637	2/20	0.61

▸	NPSR1	Q6W5P4	2/20	0.61

▸	LMNA	P02545	6/20	0.60

▸	HSD17B10	Q99714	2/20	0.60

▸	KDM4E	B2RXH2	2/20	0.60

▸	MAPT	P10636	2/20	0.60

▸	TDP1	Q9NUW8	1/20	0.60

▸	MAPK1	P28482	1/20	0.60

▸	ALDH1A1	P00352	1/20	0.53

▸	MEN1	O00255	1/20	0.53

▸	KMT2A	Q03164	1/20	0.53

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
Flurandrenolide SCHEMBL28086640	0.88	HIF1A (0.69)	PGRARADRA1ANR3C1CYP3A4
Halobetasol Propionate SCHEMBL28198190	0.84	PGR (0.67)	PGRARADRA1AADORA3CHRM1
Fluticasone Propionate SCHEMBL1692016	0.84	NR3C1 (0.67)	PGRARADRA1AADORA3CHRM1
Flurandrenolide SCHEMBL28086665	0.82	NR3C1 (0.67)	PGRARADRA1ANR3C1CYP3A4
SCHEMBL11126157	0.80	PGR (0.54)	PGRARADRA1AADORA3CHRM1
SCHEMBL11126161	0.80	PGR (0.54)	PGRARADRA1AADORA3CHRM1
SCHEMBL11126155	0.80	PGR (0.54)	PGRARADRA1AADORA3CHRM1
Prednicarbate SCHEMBL6470591	0.80	NR3C1 (0.57)	PGRARADRA1ANR3C1CYP3A4
Amcinafal SCHEMBL11281300	0.80	CYP3A4 (0.69)	PGRARADRA1ANR3C1CYP3A4
Fluocinonide SCHEMBL28188734	0.80	PGR (0.70)	PGRARADRA1AADORA3CHRM1

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-2009154646-A1	DUAL DRUG FORMULATIONS FOR IMPLANTABLE MEDICAL DEVICES FOR TREATMENT OF VASCULAR DISEASES	ABBOTT CARDIOVASCULAR SYSTEMS INC. (US)	2009-12-23	—	—	WO	disclosed