SCHEMBL8068358

SCHEMBL8068358

CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)OP(=O)(OCC)OCC)O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.60
▸ CYP3A4 P08684 3/20 0.41
▸ PGR P06401 3/20 0.41
▸ AR P10275 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL7081817 0.88 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL8674574 0.88 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL8068381 0.87 NR3C1 (0.54) NR3C1CYP3A4PGRARUSP2
SCHEMBL8138913 0.86 NR3C1 (0.66) NR3C1CYP3A4PGRARUSP2
SCHEMBL7894324 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARUSP2
Rofleponide SCHEMBL23803954 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARLMNA
Rofleponide SCHEMBL5506220 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARLMNA
Rofleponide SCHEMBL74762 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARLMNA
Rofleponide SCHEMBL7196822 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARLMNA
Rofleponide SCHEMBL8505525 0.86 NR3C1 (0.68) NR3C1CYP3A4PGRARLMNA

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
US-6114318-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS GLAXO GROUP LIMITED (GB) 2000-09-05 — — US disclosed
EP-0883628-B1 17BETA-(2-OXO-TETRAHYDROFURAN-4-YL)-THIO-ANDROSTANE DERIVATIVES (17BETA-(GAMMA-BUTYRIC ACID LACTONE)-THIO DERIVATIVES) FOR THE TREATMENT OF INFLAMMATION AND PHARMACEUTICAL COMPOSITIONS AND A PROCESS FOR THE PRODUCTION THEREOF GLAXO GROUP LTD (GB) 2000-08-16 — — EP disclosed
EP-0883628-A1 17BETA-(2-OXO-TETRAHYDROFURAN-4-YL)-THIO-ANDROSTANE DERIVATIVES (17BETA-(GAMMA-BUTYRIC ACID LACTONE)-THIO DERIVATIVES) FOR THE TREATMENT OF INFLAMMATION AND PHARMACEUTICAL COMPOSITIONS AND A PROCESS FOR THE PRODUCTION THEREOF GLAXO GROUP LIMITED (GB) 1998-12-16 — — EP disclosed
WO-1997024368-A1 17BETA-(2-OXO-TETRAHYDROFURAN-4-YL)-THIO-ANDROSTANE DERIVATIVES (17BETA-(GAMMA-BUTYRIC ACID LACTONE)-THIO DERIVATIVES) FOR THE TREATMENT OF INFLAMMATION AND PHARMACEUTICAL COMPOSITIONS AND A PROCESS FOR THE PRODUCTION THEREOF GLAXO GROUP LIMITED (GB) 1997-07-10 — — WO disclosed
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