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Flurandrenolide

Flurandrenolide

SCHEMBL9198340

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@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Flurandrenolide. 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 7/20 0.76
▸ PGR P06401 8/20 0.76
▸ CYP3A4 P08684 8/20 0.76
▸ HIF1A Q16665 8/20 0.76
▸ ABCB11 O95342 5/20 0.76
▸ AR P10275 4/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ LMNA P02545 4/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ KDM4E B2RXH2 2/20 0.75
▸ CYP2C19 P33261 1/20 0.75
▸ HTR1A P08908 1/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ ADRA1A P35348 1/20 0.75
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ NR1I2 O75469 2/20 0.45

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
Flurandrenolide SCHEMBL28086640 0.89 HIF1A (0.69) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL21111542 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL5490827 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL4694 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL5042122 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL13423594 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flurandrenolide SCHEMBL13769220 0.87 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flunisolide SCHEMBL4351 0.86 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flunisolide SCHEMBL5493687 0.86 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11
Flunisolide SCHEMBL13026142 0.86 CYP3A4 (1.00) PGRCYP3A4HIF1ANR3C1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110955-B1 BRAIN-SPECIFIC DRUG DELIVERY UNIV FLORIDA (US) 1995-08-23 — — EP disclosed
EP-0222425-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-05-20 — — EP disclosed
EP-0221588-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-05-13 — — EP disclosed
EP-0218300-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-04-15 — — EP disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 — — EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 — — WO disclosed
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