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Sugi Predict / Compounds / Fluocinonide

Fluocinonide

Fluocinonide

SCHEMBL28089757

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.C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO

nearest known ligand 0.72

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 8/20 0.72
▸ PGR P06401 7/20 0.72
▸ HIF1A Q16665 6/20 0.72
▸ LMNA P02545 5/20 0.72
▸ AR P10275 3/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ CYP3A4 P08684 5/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ABCB11 O95342 2/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ NR1I2 O75469 1/20 0.56

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 0.86 PGR (0.53) NR3C1PGRHIF1ALMNAAR
Fluocinolone Acetonide SCHEMBL2251974 0.85 NR3C1 (0.82) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL28089918 0.85 NR3C1 (0.94) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL13072779 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL4262 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL13568069 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL2800723 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL13026147 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL2962841 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR
Fluocinonide SCHEMBL9338347 0.85 HIF1A (1.00) NR3C1PGRHIF1ALMNAAR

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
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 — — CN disclosed
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 — — CN disclosed
CN-103533835-B S1P modulators 比奥根MA公司 2016-08-24 — — CN disclosed
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