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Dexamethasone

Dexamethasone

SCHEMBL3836634

C[C@@H]1C[C@H]2[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.O=P([O-])(O)O.[Na+].[Na+]

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Dexamethasone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 7/20 0.89
▸ HIF1A Q16665 9/20 0.89
▸ CYP3A4 P08684 7/20 0.89
▸ HSD17B10 Q99714 4/20 0.89
▸ NFKB1 P19838 3/20 0.89
▸ PGR P06401 3/20 0.89
▸ TSHR P16473 2/20 0.89
▸ AR P10275 2/20 0.89
▸ PMP22 Q01453 2/20 0.89
▸ MEN1 O00255 1/20 0.89
▸ CYP2D6 P10635 1/20 0.89
▸ KMT2A Q03164 1/20 0.89
▸ APEX1 P27695 1/20 0.89
▸ NPSR1 Q6W5P4 1/20 0.89
▸ IKBKB O14920 1/20 0.89
▸ CHUK O15111 1/20 0.89
▸ ADRB2 P07550 1/20 0.89
▸ NR3C2 P08235 1/20 0.89
▸ PLA2G2A P14555 1/20 0.89
▸ NFKB2 Q00653 1/20 0.89

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.

Compoundsimilaritytop predictedshared targets
Betamethasone SCHEMBL15415155 1.00 HIF1A (0.89) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL13740162 0.98 HIF1A (0.86) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL27582183 0.98 HIF1A (0.89) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Dexamethasone SCHEMBL337333 0.98 HIF1A (0.89) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL7779 0.97 HIF1A (0.90) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL1301201 0.97 HIF1A (0.90) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL6908689 0.97 HIF1A (0.90) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL8508844 0.97 HIF1A (0.90) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL12099597 0.97 HIF1A (0.89) HIF1ACYP3A4NR3C1HSD17B10NFKB1
Betamethasone SCHEMBL5501682 0.96 HIF1A (0.93) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581185-B1 LIPOSOMAL GLUCOCORTICOIDS NOVOSOM AG (DE) 2009-10-14 — — EP claimed
US-20060147511-A1 Liposomal glucocorticoids PANZNER STEFFEN 2006-07-06 — — US claimed
US-20040063678-A1 Dexamethasone Gel BAUSCH & LOMB INCORPORATED (US) 2004-04-01 — — US claimed
EP-1021192-B1 DEXAMETHASONE GEL MANN GERHARD CHEM PHARM FAB (DE) 2003-01-08 — — EP claimed
EP-1581185-B1 LIPOSOMAL GLUCOCORTICOIDS NOVOSOM AG (DE) 2009-10-14 — — EP disclosed
US-20060147511-A1 Liposomal glucocorticoids PANZNER STEFFEN 2006-07-06 — — US disclosed
EP-1581185-A2 LIPOSOMAL GLUCOCORTICOIDS Novosom AG (DE) 2005-10-05 — — EP disclosed
WO-2004047792-A2 LIPOSOMAL GLUCOCORTICOIDS NOVOSOM AG (DE) 2004-06-10 — — WO disclosed
US-20040063678-A1 Dexamethasone Gel BAUSCH & LOMB INCORPORATED (US) 2004-04-01 — — US disclosed
EP-1021192-B1 DEXAMETHASONE GEL MANN GERHARD CHEM PHARM FAB (DE) 2003-01-08 — — EP disclosed