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Flurandrenolide

Flurandrenolide

SCHEMBL28118985

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.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

nearest known ligand 0.65

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 0.65
▸ HIF1A Q16665 7/20 0.65
▸ PGR P06401 7/20 0.65
▸ CYP3A4 P08684 6/20 0.65
▸ AR P10275 4/20 0.65
▸ ABCB11 O95342 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ HRH1 P35367 1/20 0.61
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 5/20 0.52
▸ SERPINA6 P08185 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48

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 SCHEMBL5664031 0.86 NR3C1 (0.62) HIF1ANR3C1PGRCYP3A4AR
Fludrocortisone Acetate SCHEMBL22191189 0.82 HIF1A (0.77) HIF1ANR3C1PGRCYP3A4AR
Halcinonide SCHEMBL8453347 0.81 NR3C1 (0.72) HIF1ANR3C1PGRCYP3A4AR
Flurandrenolide SCHEMBL3692151 0.81 CYP3A4 (0.97) HIF1ANR3C1PGRCYP3A4AR
Desonide SCHEMBL8649633 0.81 NR3C1 (0.69) HIF1ANR3C1PGRCYP3A4AR
Halcinonide SCHEMBL28149502 0.81 NR3C1 (0.71) HIF1ANR3C1PGRCYP3A4AR
Flurandrenolide SCHEMBL5042122 0.81 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4AR
Flurandrenolide SCHEMBL21111542 0.81 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4AR
Flurandrenolide SCHEMBL13769220 0.81 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4AR
Flurandrenolide SCHEMBL4694 0.81 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4AR

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
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 — — CN disclosed
CN-106278999-A S1p regulator 比奥根MA公司 2017-01-04 — — CN disclosed
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