21-Desacetyldeflazacort

21-Desacetyldeflazacort

SCHEMBL30754690

CC1=N[C@]2(C(=O)CO)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.81
PGR P06401 7/20 0.81
CYP3A4 P08684 4/20 0.63
HIF1A Q16665 4/20 0.63
HSD17B10 Q99714 3/20 0.63
ABCB11 O95342 2/20 0.63
NR3C2 P08235 2/20 0.63
AR P10275 2/20 0.63
LMNA P02545 2/20 0.63
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
IL5 P05113 1/20 0.63
CHRM1 P11229 1/20 0.63
MMP9 P14780 1/20 0.63
NFKB1 P19838 1/20 0.63
THPO P40225 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL13912206 0.92 NR3C1 (0.69) NR3C1PGRCYP3A4HIF1AHSD17B10
SCHEMBL30315823 0.91 NR3C1 (0.79) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL24497637 0.90 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL2598076 0.90 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL4018 0.90 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL4019 0.90 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL4259541 0.89 NR3C1 (0.95) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL22502722 0.89 NR3C1 (0.98) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL17941674 0.87 NR3C1 (0.94) NR3C1PGRCYP3A4HIF1AHSD17B10
Deflazacort SCHEMBL887173 0.87 NR3C1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015527-A1 THERAPEUTIC COMBINATIONS OF DRUGS, COMPANION DIAGNOSTICS AND METHODS FOR DOSAGING AND USING THEM BAYESIAN BIOTECH, LLC (US) 2024-01-18 WO claimed
WO-2024015527-A1 THERAPEUTIC COMBINATIONS OF DRUGS, COMPANION DIAGNOSTICS AND METHODS FOR DOSAGING AND USING THEM BAYESIAN BIOTECH, LLC (US) 2024-01-18 WO disclosed