Methylprednisolone

SCHEMBL8902882

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12.C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Methylprednisolone. 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	0.73

▸	HSD17B10	Q99714	11/20	0.73

▸	HIF1A	Q16665	7/20	0.73

▸	CYP3A4	P08684	6/20	0.73

▸	PGR	P06401	5/20	0.73

▸	ALDH1A1	P00352	3/20	0.73

▸	ABCB11	O95342	2/20	0.73

▸	ABCC4	O15439	1/20	0.73

▸	NR1I2	O75469	1/20	0.73

▸	PDE4D	Q08499	1/20	0.73

▸	SERPINA6	P08185	4/20	0.67

▸	SHBG	P04278	2/20	0.67

▸	SMN1; SMN2	Q16637	2/20	0.67

▸	LMNA	P02545	2/20	0.67

▸	CYP2D6	P10635	1/20	0.67

▸	TSHR	P16473	1/20	0.67

▸	PMP22	Q01453	1/20	0.67

▸	KCNA1	Q09470	1/20	0.67

▸	SLC47A1	Q96FL8	1/20	0.67

▸	CYP2C19	P33261	3/20	0.62

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
Methylprednisolone SCHEMBL841103	0.92	HIF1A (0.79)	HSD17B10HIF1ANR3C1CYP3A4PGR
Methylprednisolone SCHEMBL262976	0.91	HSD17B10 (0.78)	HSD17B10HIF1ANR3C1CYP3A4PGR
Prednisolone SCHEMBL11710056	0.90	HSD17B10 (0.76)	HSD17B10HIF1ANR3C1CYP3A4PGR
Methylprednisolone SCHEMBL5507451	0.90	NR3C1 (0.76)	HSD17B10HIF1ANR3C1CYP3A4PGR
Paramethasone SCHEMBL13723822	0.88	PGR (0.66)	HSD17B10HIF1ANR3C1CYP3A4PGR
Hydrocortisone Acetate SCHEMBL1048790	0.86	PGR (0.76)	HSD17B10HIF1ANR3C1CYP3A4PGR
Methylprednisolone SCHEMBL17223638	0.86	NR3C1 (0.70)	HSD17B10HIF1ANR3C1CYP3A4PGR
Prednisone SCHEMBL15516322	0.86	HSD17B10 (0.75)	HSD17B10HIF1ANR3C1CYP3A4PGR
Methylprednisolone SCHEMBL4274907	0.85	NR3C1 (0.87)	HSD17B10HIF1ANR3C1CYP3A4PGR
Cortisone SCHEMBL442505	0.85	HIF1A (0.85)	HSD17B10HIF1ANR3C1CYP3A4PGR

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
US-5667783-A	Method of treating HIV positive subjects	Alen, Constantine (US)	1997-09-16	—	—	US	disclosed