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Sugi Predict / Compounds / Flunisolide

Flunisolide

Flunisolide

SCHEMBL17964229

CC(=O)O.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@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Flunisolide. 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 0.83
▸ CYP3A4 P08684 7/20 0.83
▸ PGR P06401 6/20 0.83
▸ ABCB11 O95342 3/20 0.83
▸ HSD17B10 Q99714 3/20 0.83
▸ LMNA P02545 2/20 0.83
▸ KDM4E B2RXH2 1/20 0.83
▸ CYP2C19 P33261 1/20 0.83
▸ HTR1A P08908 1/20 0.83
▸ ADRA2A P08913 1/20 0.83
▸ ADRA1A P35348 1/20 0.83
▸ HIF1A Q16665 4/20 0.62
▸ AR P10275 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ ABCC3 O15438 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ IL5 P05113 1/20 0.61
▸ NR3C2 P08235 1/20 0.61
▸ CHRM1 P11229 1/20 0.61

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
Flunisolide SCHEMBL17964228 0.93 PGR (0.95) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL42576 0.93 PGR (0.95) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL30994800 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL13662143 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL19681909 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL13026142 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL5187487 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL8810954 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL4351 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10
Flunisolide SCHEMBL5493687 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11HSD17B10

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
EP-3250211-A1 NOVEL PROCESS FOR PREPARATION OF GLUCOCORTICOID STEROIDS Coral Drugs Pvt. Ltd. (IN) 2017-12-06 — — EP disclosed
WO-2016120891-A1 NOVEL PROCESS FOR PREPARATION OF GLUCOCORTICOID STEROIDS CORAL DRUGS PVT. LTD. (IN) 2016-08-04 — — WO disclosed
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