SCHEMBL8502672

SCHEMBL8502672

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@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.57
▸ HIF1A Q16665 6/20 0.57
▸ PGR P06401 5/20 0.57
▸ AR P10275 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP3A4 P08684 5/20 0.55
▸ USP2 O75604 2/20 0.55
▸ MAPT P10636 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CNR1 P21554 1/20 0.44
▸ KCNH2 Q12809 1/20 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
SCHEMBL8500279 0.89 NR3C1 (0.60) NR3C1HIF1APGRARLMNA
SCHEMBL8499719 0.89 NR3C1 (0.60) NR3C1HIF1APGRARLMNA
SCHEMBL7204193 0.89 NR3C1 (0.60) NR3C1HIF1APGRARLMNA
SCHEMBL29714128 0.89 NR3C1 (0.60) NR3C1HIF1APGRARLMNA
SCHEMBL4734156 0.89 NR3C1 (0.72) NR3C1HIF1APGRARLMNA
SCHEMBL8904556 0.88 NR3C1 (0.71) NR3C1HIF1APGRARLMNA
SCHEMBL8501586 0.88 NR3C1 (0.60) NR3C1HIF1APGRARLMNA
SCHEMBL8499360 0.86 NR3C1 (0.61) NR3C1HIF1APGRARLMNA
SCHEMBL8204332 0.85 NR3C1 (0.59) NR3C1HIF1APGRARLMNA
SCHEMBL4734726 0.85 NR3C1 (0.70) NR3C1HIF1APGRARLMNA

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
EP-0572451-B1 NOVEL STEROID ESTERS ASTRA AB (SE) 1998-04-01 — — EP claimed
US-5888995-A ANTIINFLAMMATORY AND ANTIALLERGENIC AGENTS; A NOVEL GLUCOCORTICOSTEROID ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
EP-0572451-B1 NOVEL STEROID ESTERS ASTRA AB (SE) 1998-04-01 — — EP disclosed
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
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