SCHEMBL8501938

SCHEMBL8501938

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.57
▸ PGR P06401 5/20 0.57
▸ NR3C1 P04150 5/20 0.57
▸ ABCB11 O95342 3/20 0.57
▸ AR P10275 3/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CHRM1 P11229 2/20 0.57
▸ ABCC3 O15438 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ IL5 P05113 1/20 0.57
▸ NR3C2 P08235 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ THPO P40225 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL3305265 0.87 NR3C1 (0.76) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL19583457 0.87 NR3C1 (0.76) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL18051174 0.87 NR3C1 (0.76) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL19583464 0.87 NR3C1 (0.76) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL8499750 0.87 NR3C1 (0.74) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL8499317 0.86 HIF1A (0.56) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL8503153 0.86 HIF1A (0.56) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL24591950 0.85 CYP3A4 (0.56) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL21153554 0.85 CYP3A4 (0.56) CYP3A4PGRNR3C1ABCB11AR
SCHEMBL21152861 0.85 CYP3A4 (0.56) CYP3A4PGRNR3C1ABCB11AR

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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