Betamethasone

SCHEMBL6908689

C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@@H]1CC2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone. 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	7/20	0.90

▸	HIF1A	Q16665	9/20	0.90

▸	CYP3A4	P08684	7/20	0.90

▸	HSD17B10	Q99714	4/20	0.90

▸	NFKB1	P19838	3/20	0.90

▸	PGR	P06401	3/20	0.90

▸	TSHR	P16473	2/20	0.90

▸	AR	P10275	2/20	0.90

▸	PMP22	Q01453	2/20	0.90

▸	MEN1	O00255	1/20	0.90

▸	CYP2D6	P10635	1/20	0.90

▸	KMT2A	Q03164	1/20	0.90

▸	APEX1	P27695	1/20	0.90

▸	NPSR1	Q6W5P4	1/20	0.90

▸	IKBKB	O14920	1/20	0.90

▸	CHUK	O15111	1/20	0.90

▸	ADRB2	P07550	1/20	0.90

▸	NR3C2	P08235	1/20	0.90

▸	PLA2G2A	P14555	1/20	0.90

▸	NFKB2	Q00653	1/20	0.90

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 SCHEMBL8508844	1.00	HIF1A (0.90)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL1301201	1.00	HIF1A (0.90)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL7779	1.00	HIF1A (0.90)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL12099597	0.99	HIF1A (0.89)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL3456100	0.98	HIF1A (0.86)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL9112497	0.98	HIF1A (0.86)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL13740162	0.98	HIF1A (0.86)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL15415155	0.97	HIF1A (0.89)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL27582183	0.97	HIF1A (0.89)	HIF1ACYP3A4NR3C1HSD17B10NFKB1
Dexamethasone SCHEMBL337333	0.97	HIF1A (0.89)	HIF1ACYP3A4NR3C1HSD17B10NFKB1

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-2004060490-A1	COMPOSITION COMPRISING A DESFERRIOXAMINE-METAL COMPLEX AND ITS USE FOR TREATING TISSUE DAMAGE FOLLOWING EXPOSURE TO WARFARE AGENT	YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL)	2004-07-22	—	—	WO	disclosed