SCHEMBL11418169

SCHEMBL11418169

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.69
▸ PGR P06401 8/20 0.69
▸ LMNA P02545 5/20 0.69
▸ HIF1A Q16665 4/20 0.69
▸ NR1I2 O75469 3/20 0.69
▸ CNR1 P21554 3/20 0.69
▸ CYP3A4 P08684 7/20 0.64
▸ USP2 O75604 7/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ ABCB11 O95342 3/20 0.64
▸ CYP2D6 P10635 2/20 0.64
▸ MLNR O43193 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ CYP3A5 P20815 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL11418175 1.00 NR3C1 (0.69) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586775 0.93 NR3C1 (0.63) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586778 0.93 NR3C1 (0.63) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11323834 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11323839 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL24581296 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL24581680 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586140 0.93 NR3C1 (0.71) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11415042 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11421850 0.92 NR3C1 (0.69) NR3C1PGRLMNAHIF1ANR1I2

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
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
US-3992422-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy-20-keto-pregnenes SCHERING CORPORATION (US) 1976-11-16 — — US disclosed
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