Betamethasone Dipropionate

SCHEMBL3362954

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](OC(C)=O)C[C@@]21C.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone Dipropionate. 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	6/20	0.82

▸	PGR	P06401	4/20	0.82

▸	MAPT	P10636	3/20	0.82

▸	NR1I2	O75469	2/20	0.82

▸	ADORA3	P0DMS8	2/20	0.82

▸	DRD2	P14416	1/20	0.82

▸	OPRD1	P41143	1/20	0.82

▸	CYP3A4	P08684	7/20	0.69

▸	USP2	O75604	5/20	0.69

▸	LMNA	P02545	3/20	0.69

▸	SMN1; SMN2	Q16637	2/20	0.69

▸	CYP2C9	P11712	2/20	0.69

▸	MLNR	O43193	1/20	0.69

▸	ABCB11	O95342	1/20	0.69

▸	CYP3A5	P20815	1/20	0.69

▸	PPARG	P37231	1/20	0.69

▸	NPSR1	Q6W5P4	1/20	0.69

▸	CYP2D6	P10635	1/20	0.69

▸	HIF1A	Q16665	4/20	0.67

▸	CNR1	P21554	2/20	0.67

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 Dipropionate SCHEMBL7152754	0.96	NR3C1 (0.89)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL1479319	0.95	NR3C1 (0.91)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL8419	0.95	NR3C1 (0.91)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL16213556	0.95	NR3C1 (0.91)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL1658520	0.94	NR3C1 (0.88)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL8584606	0.93	NR3C1 (0.90)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL2271231	0.93	NR3C1 (0.90)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL3836657	0.93	NR3C1 (0.90)	NR3C1PGRMAPTNR1I2ADORA3
SCHEMBL7593	0.93	NR3C1 (0.82)	NR3C1PGRMAPTNR1I2ADORA3
Betamethasone Dipropionate SCHEMBL11064031	0.92	NR3C1 (0.86)	NR3C1PGRMAPTNR1I2ADORA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090148402-A1	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	BRUNETTA PAUL G	2009-06-11	—	—	US	claimed
EP-1572972-A4	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	GENENTECH INC (US)	2007-11-21	—	—	EP	claimed
EP-1572972-A2	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	Genentech, Inc. (US)	2005-09-14	—	—	EP	claimed
US-20040258685-A1	Therapy of non-malignant diseases or disorders with anti-ErbB2 antibodies	GENENTECH, INC.	2004-12-23	—	—	US	claimed
WO-2004048525-A2	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	GENENTECH, INC. (US)	2004-06-10	—	—	WO	claimed
US-20100209520-A1	ORAL PHARMACEUTICAL PREPARATION FOR COLON-SPECIFIC DELIVERY	AMATERASPHARMA INC. (JP)	2010-08-19	—	—	US	disclosed
EP-2143424-A1	ORAL PHARMACEUTICAL PREPARATION FOR COLON-SPECIFIC DELIVERY	TEIKOKU SEIYAKU CO., LTD. (JP)	2010-01-13	—	—	EP	disclosed
US-20090148402-A1	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	BRUNETTA PAUL G	2009-06-11	—	—	US	disclosed
EP-1572972-A4	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	GENENTECH INC (US)	2007-11-21	—	—	EP	disclosed
EP-1572972-A2	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	Genentech, Inc. (US)	2005-09-14	—	—	EP	disclosed
US-20040258685-A1	Therapy of non-malignant diseases or disorders with anti-ErbB2 antibodies	GENENTECH, INC.	2004-12-23	—	—	US	disclosed
WO-2004048525-A2	THERAPY OF NON-MALIGNANT DISEASES OR DISORDERS WITH ANTI-ERBB2 ANTIBODIES	GENENTECH, INC. (US)	2004-06-10	—	—	WO	disclosed