Betamethasone

Betamethasone

SCHEMBL29047992

CCCCCCCCCCCCCCCC(=O)O.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

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone. 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 9/20 0.82
CYP3A4 P08684 7/20 0.82
HIF1A Q16665 7/20 0.82
HSD17B10 Q99714 4/20 0.82
PGR P06401 4/20 0.82
NFKB1 P19838 3/20 0.82
TSHR P16473 2/20 0.82
AR P10275 2/20 0.82
PMP22 Q01453 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
CYP2D6 P10635 1/20 0.82
APEX1 P27695 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
IKBKB O14920 1/20 0.82
CHUK O15111 1/20 0.82
ADRB2 P07550 1/20 0.82
NR3C2 P08235 1/20 0.82
PLA2G2A P14555 1/20 0.82
NFKB2 Q00653 1/20 0.82

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
Dexamethasone SCHEMBL2940262 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL2933729 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL2933295 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL25246105 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL93889 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL25253296 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL25248831 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL25292805 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL5151472 1.00 NR3C1 (0.82) NR3C1CYP3A4HIF1AHSD17B10PGR
Dexamethasone SCHEMBL25247721 0.99 NR3C1 (0.83) NR3C1CYP3A4HIF1AHSD17B10PGR

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
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed