SCHEMBL8205174

SCHEMBL8205174

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.82
▸ LMNA P02545 5/20 0.82
▸ HIF1A Q16665 4/20 0.82
▸ PGR P06401 4/20 0.82
▸ AR P10275 2/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ CYP3A4 P08684 2/20 0.80
▸ MAPT P10636 1/20 0.80
▸ HSD17B10 Q99714 1/20 0.80
▸ TDP1 Q9NUW8 1/20 0.80
▸ KDM4E B2RXH2 1/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ NR1I2 O75469 1/20 0.59
▸ ESR1 P03372 1/20 0.58

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
SCHEMBL8204288 0.93 NR3C1 (0.77) NR3C1LMNAHIF1APGRAR
SCHEMBL13596225 0.91 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL13181632 0.91 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL16656251 0.91 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL11875317 0.91 NR3C1 (0.74) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL13568069 0.90 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL4262 0.90 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
SCHEMBL21795341 0.90 NR3C1 (0.83) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL9338347 0.90 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL2800723 0.90 HIF1A (1.00) NR3C1LMNAHIF1APGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876393-B1 21-(2-OXO-TETRAHYDROFURAN)-THIO PREGNANE DERIVATIVES, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LTD (GB) 2000-07-05 — — EP disclosed
US-6013244-A AS ANTI-INFLAMMATORY OR ANTI-ALLERGIC AGENTS GLAXO WELLCOME INC. (US) 2000-01-11 — — US disclosed
EP-0876393-A1 21-(2-OXO-TETRAHYDROFURAN)-THIO PREGNANE DERIVATIVES, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-11-11 — — EP disclosed
WO-1997024367-A1 21-(2-OXO-TETRAHYDROFURAN)-THIO PREGNANE DERIVATIVES, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-07-10 — — WO disclosed
US-3985757-A ANTIINFLAMMATORY AGENTS AND TRANQUILIZERS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 — — US disclosed
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