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Flurandrenolide

Flurandrenolide

SCHEMBL28086665

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@H]1C(=O)CO

nearest known ligand 0.67

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 10/20 0.67
▸ PGR P06401 8/20 0.67
▸ HIF1A Q16665 6/20 0.67
▸ CYP3A4 P08684 5/20 0.67
▸ AR P10275 3/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ LMNA P02545 6/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ NR1I2 O75469 2/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ CYP2C19 P33261 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADRA1A P35348 1/20 0.59

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 0.88 HIF1A (0.69) NR3C1PGRHIF1ACYP3A4AR
Fluocinonide SCHEMBL28863137 0.84 PGR (0.53) NR3C1PGRHIF1ACYP3A4AR
Fluocinolone Acetonide SCHEMBL22807167 0.84 NR3C1 (0.73) NR3C1PGRHIF1ACYP3A4AR
Fluocinolone Acetonide SCHEMBL2251974 0.82 NR3C1 (0.82) NR3C1PGRHIF1ACYP3A4AR
Halobetasol Propionate SCHEMBL4288075 0.82 PGR (0.63) NR3C1PGRHIF1ACYP3A4AR
Triamcinolone Acetonide SCHEMBL7988975 0.82 NR3C1 (0.70) NR3C1PGRHIF1ACYP3A4AR
Flurandrenolide SCHEMBL13769220 0.82 CYP3A4 (1.00) NR3C1PGRHIF1ACYP3A4AR
Flurandrenolide SCHEMBL21111542 0.82 CYP3A4 (1.00) NR3C1PGRHIF1ACYP3A4AR
Flurandrenolide SCHEMBL4694 0.82 CYP3A4 (1.00) NR3C1PGRHIF1ACYP3A4AR
Flurandrenolide SCHEMBL13423594 0.82 CYP3A4 (1.00) NR3C1PGRHIF1ACYP3A4AR

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-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
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