Sugi Predict

Sugi Predict / Compounds / Betamethasone Valerate

Betamethasone Valerate

Betamethasone Valerate

SCHEMBL8449742

CC1(C)O[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.CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Betamethasone Valerate. 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 0.64
▸ PGR P06401 7/20 0.64
▸ CYP3A4 P08684 5/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ USP2 O75604 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LMNA P02545 6/20 0.59
▸ HIF1A Q16665 4/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ AR P10275 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ MMP1 P03956 4/20 0.54
▸ CYP2C19 P33261 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 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
Fluocinonide SCHEMBL11596245 0.89 NR3C1 (0.68) NR3C1PGRCYP3A4MEN1USP2
Fluocinolone Acetonide SCHEMBL8450831 0.88 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
Betamethasone Dipropionate SCHEMBL7120868 0.87 NR3C1 (0.68) NR3C1PGRCYP3A4MEN1USP2
Amcinonide SCHEMBL22684943 0.85 NR3C1 (0.64) NR3C1PGRCYP3A4MEN1USP2
Fluocinonide SCHEMBL616754 0.84 NR3C1 (0.74) NR3C1PGRCYP3A4MEN1USP2
Desonide SCHEMBL11778722 0.83 CYP3A4 (0.73) NR3C1PGRCYP3A4MEN1KMT2A
Triamcinolone Acetonide SCHEMBL20915153 0.83 HIF1A (0.77) NR3C1PGRCYP3A4MEN1USP2
Fluticasone Propionate SCHEMBL4281973 0.83 NR3C1 (0.70) NR3C1PGRCYP3A4USP2LMNA
Difluprednate SCHEMBL4959751 0.83 LMNA (0.66) NR3C1PGRCYP3A4MEN1USP2
Desonide SCHEMBL4457124 0.82 CYP3A4 (0.63) NR3C1PGRCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896541-A4 — — 1999-03-24 — — EP disclosed
EP-0896541-A1 SILVER-BASED PHARMACEUTICAL COMPOSITIONS CAPELLI, Christopher C. (US) 1999-02-17 — — EP disclosed
WO-1997002038-A1 SILVER-BASED PHARMACEUTICAL COMPOSITIONS CAPELLI CHRISTOPHER C (US) 1997-01-23 — — WO disclosed
Send feedback