Halcinonide

SCHEMBL28149502

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1.C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.Cl

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Halcinonide. 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	8/20	0.71

▸	PGR	P06401	7/20	0.71

▸	CYP3A4	P08684	5/20	0.71

▸	AR	P10275	3/20	0.71

▸	USP2	O75604	1/20	0.71

▸	HIF1A	Q16665	9/20	0.59

▸	CYP2C19	P33261	2/20	0.59

▸	HSD17B10	Q99714	2/20	0.59

▸	SMN1; SMN2	Q16637	2/20	0.59

▸	SERPINA6	P08185	2/20	0.59

▸	KMT2A	Q03164	2/20	0.59

▸	SHBG	P04278	1/20	0.59

▸	NR3C2	P08235	1/20	0.59

▸	MAPT	P10636	1/20	0.59

▸	NFKB1	P19838	1/20	0.59

▸	ABCB11	O95342	1/20	0.52

▸	NPSR1	Q6W5P4	1/20	0.52

▸	LMNA	P02545	4/20	0.51

▸	NR1I2	O75469	1/20	0.51

▸	CHRM1	P11229	1/20	0.49

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
Halcinonide SCHEMBL8453347	0.99	NR3C1 (0.72)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL8571550	0.94	NR3C1 (0.65)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL10802060	0.94	NR3C1 (0.71)	NR3C1PGRCYP3A4ARUSP2
Fluocinolone Acetonide SCHEMBL8451856	0.91	NR3C1 (0.60)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL28138594	0.86	NR3C1 (0.55)	NR3C1PGRCYP3A4ARUSP2
Fludrocortisone SCHEMBL1333577	0.86	NR3C1 (0.80)	NR3C1PGRCYP3A4ARHIF1A
Desonide SCHEMBL8649633	0.84	NR3C1 (0.69)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL24015431	0.84	NR3C1 (1.00)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL4336	0.84	NR3C1 (1.00)	NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL5188866	0.84	NR3C1 (1.00)	NR3C1PGRCYP3A4ARUSP2

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
CN-104364258-B	Spirotetrahydro-benzothiophene derivatives for the treatment of neurodegenerative diseases	阿瑞斯贸易股份有限公司	2017-05-24	—	—	CN	disclosed