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Dexamethasone

Dexamethasone

SCHEMBL143971

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.C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.77

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 9/20 0.77
▸ CYP3A4 P08684 7/20 0.77
▸ HIF1A Q16665 7/20 0.77
▸ HSD17B10 Q99714 5/20 0.77
▸ PGR P06401 4/20 0.77
▸ AR P10275 4/20 0.77
▸ NFKB1 P19838 3/20 0.77
▸ TSHR P16473 2/20 0.77
▸ PMP22 Q01453 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ CYP2D6 P10635 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ APEX1 P27695 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ IKBKB O14920 1/20 0.77
▸ CHUK O15111 1/20 0.77
▸ ADRB2 P07550 1/20 0.77
▸ NR3C2 P08235 1/20 0.77
▸ PLA2G2A P14555 1/20 0.77
▸ NFKB2 Q00653 1/20 0.77

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 SCHEMBL21808820 0.94 NR3C1 (0.76) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL4085868 0.94 NR3C1 (0.76) NR3C1CYP3A4HIF1AHSD17B10PGR
Clobetasol SCHEMBL16099014 0.94 NR3C1 (0.69) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL20816248 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL21790369 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL23022353 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL21261932 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL13046610 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL5072889 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR
Betamethasone SCHEMBL24556970 0.88 HIF1A (1.00) NR3C1CYP3A4HIF1AHSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102612363-A Buccal and/or sublingual therapeutic formulation OZPHARMA PTY LTD 2012-07-25 — — CN disclosed
EP-2437730-A1 BUCCAL AND/OR SUBLINGUAL THERAPEUTIC FORMULATION Lingual Consegna Pty Ltd (AU) 2012-04-11 — — EP disclosed
US-20120058962-A1 BUCCAL AND/OR SUBLINGUAL THERAPEUTIC FORMULATION Lingual Conseqna Pty Ltd. (AU) 2012-03-08 — — US disclosed
WO-2010144943-A1 BUCCAL AND/OR SUBLINGUAL THERAPEUTIC FORMULATION OZPHARMA PTY LTD (AU) 2010-12-23 — — WO disclosed
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