SCHEMBL8500154

SCHEMBL8500154

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)COC(C)=O)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.60
▸ HIF1A Q16665 5/20 0.60
▸ PGR P06401 5/20 0.60
▸ NR3C1 P04150 5/20 0.60
▸ AR P10275 4/20 0.60
▸ ABCB11 O95342 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NCOA2 Q15596 1/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ CHRM1 P11229 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49

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
SCHEMBL8503153 0.91 HIF1A (0.56) CYP3A4HIF1APGRNR3C1AR
SCHEMBL8499317 0.91 HIF1A (0.56) CYP3A4HIF1APGRNR3C1AR
SCHEMBL10538489 0.90 NR3C1 (0.74) CYP3A4HIF1APGRNR3C1AR
SCHEMBL8500349 0.90 NR3C1 (0.74) CYP3A4HIF1APGRNR3C1AR
SCHEMBL10539776 0.90 NR3C1 (0.74) CYP3A4HIF1APGRNR3C1AR
SCHEMBL7735918 0.87 ALDH1A1 (0.64) CYP3A4HIF1APGRNR3C1AR
SCHEMBL7741842 0.83 HIF1A (0.60) CYP3A4HIF1APGRNR3C1AR
SCHEMBL8499567 0.81 NR3C1 (0.64) CYP3A4HIF1APGRNR3C1AR
SCHEMBL9272798 0.79 ABCB11 (0.59) CYP3A4HIF1APGRNR3C1AR
SCHEMBL9272808 0.79 ABCB11 (0.59) CYP3A4HIF1APGRNR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback