SCHEMBL8499983

SCHEMBL8499983

CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.73
▸ CYP3A4 P08684 4/20 0.73
▸ NR3C1 P04150 4/20 0.73
▸ PGR P06401 4/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ ABCB11 O95342 2/20 0.73
▸ AR P10275 2/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ NR3C2 P08235 2/20 0.45
▸ KMT2A Q03164 3/20 0.44

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 0.89 HIF1A (0.56) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL8499317 0.89 HIF1A (0.56) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11862078 0.85 CYP3A4 (0.80) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL13769220 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL5042122 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL13423594 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL4694 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL21111542 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL5490827 0.85 CYP3A4 (1.00) HIF1ACYP3A4NR3C1PGRSMN1; SMN2
Flurandrenolide SCHEMBL3692151 0.83 CYP3A4 (0.97) HIF1ACYP3A4NR3C1PGRSMN1; SMN2

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
US-5888995-A ANTIINFLAMMATORY AND ANTIALLERGENIC AGENTS; A NOVEL GLUCOCORTICOSTEROID ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
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