Sugi Predict

Sugi Predict / Compounds / Dexbudesonide

Dexbudesonide

Dexbudesonide

SCHEMBL5504588

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@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.C[C@]12CCC(=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 0.61

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 8/20 0.61
▸ HIF1A Q16665 8/20 0.61
▸ CYP3A4 P08684 6/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ ABCB11 O95342 3/20 0.61
▸ NFKB1 P19838 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ PGR P06401 3/20 0.61
▸ NR3C2 P08235 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ AR P10275 2/20 0.61
▸ ABCC3 O15438 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ IL5 P05113 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61

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 SCHEMBL1302753 0.91 NR3C1 (0.73) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Budesonide SCHEMBL28233270 0.89 CYP3A4 (0.53) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexbudesonide SCHEMBL8159866 0.89 NR3C1 (0.78) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Budesonide SCHEMBL28234255 0.86 CYP3A4 (0.52) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexbudesonide SCHEMBL4260550 0.84 CYP3A4 (0.73) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexbudesonide SCHEMBL18695366 0.84 CYP3A4 (0.73) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexbudesonide SCHEMBL5655286 0.84 NR3C1 (0.88) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexbudesonide SCHEMBL840948 0.82 HSD17B10 (0.72) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Beclomethasone Dipropionate SCHEMBL266055 0.80 NR3C1 (0.65) HIF1ANR3C1CYP3A4HSD17B10ABCB11
Dexamethasone SCHEMBL322760 0.79 HIF1A (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1850855-A2 COMPOUNDS AND USES THEREOF Combinatorx, Incorporated (US) 2007-11-07 — — EP disclosed
WO-2006088786-A2 COMPOUNDS AND USES THEREOF COMBINATORX, INCORPORATED (US) 2006-08-24 — — WO disclosed
Send feedback