SCHEMBL8500349

SCHEMBL8500349

CCCC1O[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 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.74
▸ CYP3A4 P08684 6/20 0.74
▸ HIF1A Q16665 4/20 0.74
▸ ABCB11 O95342 3/20 0.74
▸ PGR P06401 3/20 0.74
▸ AR P10275 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ NPSR1 Q6W5P4 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ABCC3 O15438 1/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ IL5 P05113 1/20 0.60
▸ NR3C2 P08235 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60

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
SCHEMBL10538489 1.00 NR3C1 (0.74) NR3C1CYP3A4HIF1AABCB11PGR
SCHEMBL10539776 1.00 NR3C1 (0.74) NR3C1CYP3A4HIF1AABCB11PGR
SCHEMBL8500154 0.90 CYP3A4 (0.60) NR3C1CYP3A4HIF1AABCB11PGR
SCHEMBL8499317 0.87 HIF1A (0.56) NR3C1CYP3A4HIF1AABCB11PGR
SCHEMBL8503153 0.87 HIF1A (0.56) NR3C1CYP3A4HIF1AABCB11PGR
SCHEMBL2016044 0.86 NR3C1 (0.73) NR3C1CYP3A4HIF1AABCB11PGR
Flurandrenolide SCHEMBL5042122 0.85 CYP3A4 (1.00) NR3C1CYP3A4HIF1AABCB11PGR
Flurandrenolide SCHEMBL13769220 0.85 CYP3A4 (1.00) NR3C1CYP3A4HIF1AABCB11PGR
Flurandrenolide SCHEMBL21111542 0.85 CYP3A4 (1.00) NR3C1CYP3A4HIF1AABCB11PGR
Flurandrenolide SCHEMBL4694 0.85 CYP3A4 (1.00) NR3C1CYP3A4HIF1AABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164636-B1 A PROCESS FOR THE PREPARATION OF 16,17 ACETALS OF PREGNANE DERIVATIVES AND COMPOUNDS OBTAINED THEREFROM SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1990-09-19 — — EP claimed
US-5939409-A CONDENSATION OF ALDEHYDE WITH STEROIDIOL TO FORM AN ACETAL GROUPS ASTRA AKTIEBOLAG (SE) 1999-08-17 — — US disclosed
US-5888995-A ANTIINFLAMMATORY AND ANTIALLERGENIC AGENTS; A NOVEL GLUCOCORTICOSTEROID ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5674861-A GLUCOCORTICOSTEROIDS FOR LOCAL TREATMENT OF INFLAMMATORY DISORDERS ASTRA AKTIEBOLAG (SE) 1997-10-07 — — US disclosed
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
EP-0164636-B1 A PROCESS FOR THE PREPARATION OF 16,17 ACETALS OF PREGNANE DERIVATIVES AND COMPOUNDS OBTAINED THEREFROM SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1990-09-19 — — EP disclosed
US-4695625-A Process for the preparation of 16,17 acetals of pregnane derivatives SICOR SOCIETA ITALIANA CORTICOSTEROIDI S.P.A. (IT) 1987-09-22 — — US disclosed
EP-0164636-A2 A process for the preparation of 16,17 acetals of pregnane derivatives and compounds obtained therefrom SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1985-12-18 — — EP disclosed
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