SCHEMBL8501453

SCHEMBL8501453

CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]12OC(CCC)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.55
▸ PGR P06401 3/20 0.55
▸ AR P10275 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HIF1A Q16665 2/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8499719 0.89 NR3C1 (0.60) NR3C1PGRARCYP3A4USP2
SCHEMBL29714128 0.89 NR3C1 (0.60) NR3C1PGRARCYP3A4USP2
SCHEMBL7204193 0.89 NR3C1 (0.60) NR3C1PGRARCYP3A4USP2
SCHEMBL8500279 0.89 NR3C1 (0.60) NR3C1PGRARCYP3A4USP2
SCHEMBL8904556 0.89 NR3C1 (0.71) NR3C1PGRARCYP3A4USP2
SCHEMBL8501586 0.88 NR3C1 (0.60) NR3C1PGRARCYP3A4USP2
SCHEMBL8502621 0.87 NR3C1 (0.60) NR3C1PGRCYP3A4USP2HIF1A
SCHEMBL8500255 0.87 CYP3A4 (0.63) NR3C1PGRARCYP3A4USP2
SCHEMBL8499360 0.86 NR3C1 (0.61) NR3C1PGRARCYP3A4USP2
SCHEMBL10352704 0.86 NR3C1 (0.74) NR3C1PGRARCYP3A4USP2

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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