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Deflazacort

Deflazacort

SCHEMBL2598076

CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C.CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Deflazacort. 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 1.00
▸ PGR P06401 7/20 1.00
▸ HIF1A Q16665 5/20 0.64
▸ NR1I2 O75469 2/20 0.55
▸ CNR1 P21554 2/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NCOA2 Q15596 1/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ CYP3A4 P08684 5/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ABCC3 O15438 1/20 0.53
▸ ABCC4 O15439 1/20 0.53

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
Deflazacort SCHEMBL24497637 1.00 NR3C1 (1.00) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL4019 1.00 NR3C1 (1.00) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL4018 1.00 NR3C1 (1.00) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL22502722 0.99 NR3C1 (0.98) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL4259541 0.98 NR3C1 (0.95) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL17941674 0.97 NR3C1 (0.94) NR3C1PGRHIF1ANR1I2CNR1
SCHEMBL13653579 0.92 NR3C1 (0.86) NR3C1PGRHIF1ANR1I2CNR1
Deflazacort SCHEMBL887173 0.92 NR3C1 (0.84) NR3C1PGRHIF1ANR1I2LMNA
21-Desacetyldeflazacort SCHEMBL30754690 0.90 NR3C1 (0.81) NR3C1PGRHIF1ANR1I2CNR1
SCHEMBL13653592 0.89 NR3C1 (0.80) NR3C1PGRHIF1ANR1I2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 — — WO disclosed