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Sugi Predict / Compounds / Fluocinonide

Fluocinonide

Fluocinonide

SCHEMBL28161334

CC(=O)O.CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C.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.CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=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)CC[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]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Fluocinonide. 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 6/20 0.58
▸ HIF1A Q16665 9/20 0.58
▸ PGR P06401 8/20 0.58
▸ AR P10275 7/20 0.58
▸ LMNA P02545 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP3A4 P08684 7/20 0.56
▸ ABCB11 O95342 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54

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 SCHEMBL28863137 0.95 PGR (0.53) HIF1APGRARNR3C1LMNA
Flurandrenolide SCHEMBL28086640 0.88 HIF1A (0.69) HIF1APGRARNR3C1LMNA
Flunisolide SCHEMBL221433 0.85 PGR (0.73) HIF1APGRARNR3C1LMNA
Flurandrenolide SCHEMBL9198340 0.84 PGR (0.76) HIF1APGRARNR3C1LMNA
Fluocinonide SCHEMBL11325670 0.83 HIF1A (0.82) HIF1APGRARNR3C1LMNA
Fluocinonide SCHEMBL5664031 0.83 NR3C1 (0.62) HIF1APGRARNR3C1LMNA
Fluocinolone Acetonide SCHEMBL2251974 0.81 NR3C1 (0.82) HIF1APGRARNR3C1LMNA
Fluocinonide SCHEMBL616754 0.80 NR3C1 (0.74) HIF1APGRARNR3C1LMNA
Fluocinonide SCHEMBL28089757 0.80 NR3C1 (0.72) HIF1APGRARNR3C1LMNA
Flurandrenolide SCHEMBL28086665 0.80 NR3C1 (0.67) HIF1APGRARNR3C1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108660-A Boronic acid derivatives 默克专利股份公司 2017-08-29 — — CN disclosed
CN-107074885-A Boronic acid derivatives 默克专利股份公司 2017-08-18 — — CN disclosed
CN-107001391-A Boronic acid derivatives 默克专利股份公司 2017-08-01 — — CN disclosed
CN-107001390-A Boronic acid derivatives 默克专利股份公司 2017-08-01 — — CN disclosed
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