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Dexamethasone

Dexamethasone

SCHEMBL2637829

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@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@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

nearest known ligand 0.95

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 8/20 0.95
▸ HIF1A Q16665 9/20 0.95
▸ CYP3A4 P08684 7/20 0.95
▸ HSD17B10 Q99714 4/20 0.95
▸ NFKB1 P19838 4/20 0.95
▸ PGR P06401 3/20 0.95
▸ TSHR P16473 2/20 0.95
▸ AR P10275 2/20 0.95
▸ PMP22 Q01453 2/20 0.95
▸ MEN1 O00255 1/20 0.95
▸ CYP2D6 P10635 1/20 0.95
▸ KMT2A Q03164 1/20 0.95
▸ APEX1 P27695 1/20 0.95
▸ NPSR1 Q6W5P4 1/20 0.95
▸ IKBKB O14920 1/20 0.95
▸ CHUK O15111 1/20 0.95
▸ ADRB2 P07550 1/20 0.95
▸ NR3C2 P08235 1/20 0.95
▸ PLA2G2A P14555 1/20 0.95
▸ NFKB2 Q00653 1/20 0.95

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 SCHEMBL516602 1.00 HIF1A (0.95) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Dexamethasone SCHEMBL1376472 1.00 HIF1A (0.95) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL11911310 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL13046610 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL12738245 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL24556970 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL21790369 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL21261932 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL20816248 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1
Betamethasone SCHEMBL23022353 0.97 HIF1A (1.00) HIF1ANR3C1CYP3A4HSD17B10NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442997-A2 FGF21 C-TERMINAL PEPTIDE OPTIMIZATION Indiana University Research & Technology Corporation (US) 2019-02-20 — — EP disclosed
WO-2017210242-A1 INSULIN-NUCLEAR HORMONE CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-12-07 — — WO disclosed
WO-2017180988-A2 FGF21 C-TERMINAL PEPTIDE OPTIMIZATION INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-10-19 — — WO disclosed
EP-2861259-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES Ambrx, Inc. (US) 2015-04-22 — — EP disclosed
EP-2780031-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING GLUCOCORTICOID RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2014-09-24 — — EP disclosed
WO-2013188740-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES AMBRX, INC. (US) 2013-12-19 — — WO disclosed
WO-2013074910-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING GLUCOCORTICOID RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-05-23 — — WO disclosed
EP-2569000-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 — — EP disclosed
WO-2011143209-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 — — WO disclosed
EP-1850855-A2 COMPOUNDS AND USES THEREOF Combinatorx, Incorporated (US) 2007-11-07 — — EP disclosed
EP-1562627-A4 CORTICOSTEROID CONJUGATES AND USES THEREOF MCLEAN HOSPITAL CORP (US) 2006-11-02 — — EP disclosed
WO-2006088786-A2 COMPOUNDS AND USES THEREOF COMBINATORX, INCORPORATED (US) 2006-08-24 — — WO disclosed
EP-1562627-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF The McLean Hospital Corporation (US) 2005-08-17 — — EP disclosed
WO-2004017904-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2004-03-04 — — WO disclosed
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