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Sugi Predict / Compounds / Dexbudesonide

Dexbudesonide

Dexbudesonide

SCHEMBL5655286

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

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Dexbudesonide. 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 10/20 0.88
▸ PGR P06401 6/20 0.88
▸ CYP3A4 P08684 4/20 0.88
▸ HIF1A Q16665 4/20 0.88
▸ HSD17B10 Q99714 3/20 0.88
▸ ABCB11 O95342 2/20 0.88
▸ NR3C2 P08235 2/20 0.88
▸ AR P10275 2/20 0.88
▸ ABCC3 O15438 1/20 0.88
▸ ABCC4 O15439 1/20 0.88
▸ IL5 P05113 1/20 0.88
▸ CHRM1 P11229 1/20 0.88
▸ MMP9 P14780 1/20 0.88
▸ NFKB1 P19838 1/20 0.88
▸ THPO P40225 1/20 0.88
▸ SMN1; SMN2 Q16637 1/20 0.88
▸ LMNA P02545 1/20 0.88
▸ BLM P54132 1/20 0.88
▸ PMP22 Q01453 1/20 0.88
▸ NPSR1 Q6W5P4 1/20 0.88

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
Dexbudesonide SCHEMBL8159866 0.94 NR3C1 (0.78) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL12396756 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL13816835 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL16731476 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL14452945 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL13871728 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL13928654 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL1130417 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL21570019 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Budesonide SCHEMBL13695912 0.94 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10

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
EP-1052977-A4 TREATMENT OF CHRONIC INFLAMMATORY DISORDERS OF THE GASTROINTESTINAL TRACT BOLONICK JOEL (US) 2006-07-12 — — EP disclosed
EP-1052977-A1 TREATMENT OF CHRONIC INFLAMMATORY DISORDERS OF THE GASTROINTESTINAL TRACT Bolonick, Joel (US) 2000-11-22 — — EP disclosed
WO-1999039699-A1 TREATMENT OF CHRONIC INFLAMMATORY DISORDERS OF THE GASTROINTESTINAL TRACT RTP PHARMA, INC. (CA) 1999-08-12 — — WO disclosed
US-5863910-A EDIBLE OILS AND BUDESONIDE FOR GASTROINTESTINAL DISORDERS BOLONICK JOEL (US) 1999-01-26 — — US disclosed
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