Hydrocortisone Butyrate

SCHEMBL3670655

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.CCCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)C12F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Hydrocortisone Butyrate. 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	5/20	0.58

▸	KMT2A	Q03164	2/20	0.59

▸	HIF1A	Q16665	2/20	0.59

▸	NR3C2	P08235	6/20	0.58

▸	PGR	P06401	6/20	0.58

▸	ADORA3	P0DMS8	2/20	0.56

▸	NR1I2	O75469	2/20	0.56

▸	MAPT	P10636	2/20	0.56

▸	DRD2	P14416	1/20	0.56

▸	OPRD1	P41143	1/20	0.56

▸	USP2	O75604	5/20	0.56

▸	CYP3A4	P08684	5/20	0.56

▸	MEN1	O00255	1/20	0.56

▸	AR	P10275	2/20	0.53

▸	CHRM1	P11229	2/20	0.53

▸	CNR1	P21554	1/20	0.51

▸	TBXA2R	P21731	1/20	0.51

▸	LMNA	P02545	2/20	0.48

▸	MLNR	O43193	1/20	0.48

▸	ABCB11	O95342	1/20	0.48

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	0.90	NR3C1 (0.70)	KMT2AHIF1ANR3C2PGRNR3C1
Clobetasone Butyrate SCHEMBL22042328	0.83	LMNA (0.69)	KMT2AHIF1ANR3C2PGRNR3C1
SCHEMBL7271	0.83	NR3C1 (0.78)	KMT2AHIF1APGRNR3C1ADORA3
SCHEMBL20485505	0.83	NR3C1 (0.78)	KMT2AHIF1APGRNR3C1ADORA3
SCHEMBL4174889	0.82	NR3C1 (0.77)	KMT2AHIF1APGRNR3C1ADORA3
SCHEMBL1530974	0.82	NR3C1 (0.80)	KMT2AHIF1APGRNR3C1ADORA3
Halobetasol Propionate SCHEMBL4633197	0.82	PGR (0.62)	KMT2AHIF1ANR3C2PGRNR3C1
SCHEMBL11749891	0.81	NR3C1 (0.76)	KMT2AHIF1APGRNR3C1ADORA3
Hydrocortisone Butyrate SCHEMBL22042329	0.81	NR3C2 (0.63)	KMT2AHIF1ANR3C2PGRNR3C1
SCHEMBL11371970	0.80	NR3C1 (0.74)	KMT2AHIF1APGRNR3C1ADORA3

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-RE41278-E1	N-acetyl aldosamines and related N-acetyl compounds, and their topical use	TRISTRATA, INC.	2010-04-27	—	—	US	claimed