SCHEMBL8068355

SCHEMBL8068355

CCC[C@@H]1O[C@@H]2CC3C4C[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)OP(=O)(OCC)OCC)O1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.56
▸ PGR P06401 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ AR P10275 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ESR1 P03372 2/20 0.53

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
SCHEMBL9114028 1.00 NR3C1 (0.56) NR3C1PGRLMNAHIF1AAR
SCHEMBL8077837 0.88 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL7740470 0.88 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL8672115 0.87 NR3C1 (0.72) NR3C1PGRLMNAHIF1AAR
SCHEMBL24923581 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL24591928 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL20149283 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL23962476 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL20149344 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR
SCHEMBL23961911 0.86 NR3C1 (0.64) NR3C1PGRLMNAHIF1AAR

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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