SCHEMBL11421850

SCHEMBL11421850

CCC(=O)O[C@]1(C(=O)CBr)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.69
▸ PGR P06401 7/20 0.69
▸ LMNA P02545 5/20 0.69
▸ HIF1A Q16665 5/20 0.69
▸ CNR1 P21554 3/20 0.69
▸ NR1I2 O75469 3/20 0.69
▸ USP2 O75604 7/20 0.60
▸ CYP3A4 P08684 7/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CYP2D6 P10635 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ MLNR O43193 1/20 0.56
▸ CYP3A5 P20815 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL11421849 1.00 NR3C1 (0.69) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11323834 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11586140 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL24581680 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11323839 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL24581296 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11415042 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11418169 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11418175 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ACNR1
SCHEMBL11415038 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ACNR1

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-4201778-A 6-Acyloxy-1,4,6-pregnatrienes, their use as anti-inflammatory agents, methods for their manufacture, and 6-oxo-1,4-pregnadiene intermediates SCHERING CORPORATION (US) 1980-05-06 — — US disclosed
EP-0001864-A1 Novel 6-oxygenated-3,20-dioxo-pregnane derivatives, process for the preparation thereof, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-05-16 — — EP disclosed
US-4124707-A 7α-Halogeno-3,20-dioxo-1,4-pregnadienes, methods for their manufacture, their use as anti-inflammatory agents, and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1978-11-07 — — US disclosed
US-4021459-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy 20-keto-pregnenes SCHERING CORPORATION (US) 1977-05-03 — — US disclosed
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