SCHEMBL11584989

SCHEMBL11584989

CC(=O)OCC(=O)[C@]1(OC(C)=O)[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 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.68
▸ HIF1A Q16665 8/20 0.68
▸ NR3C1 P04150 8/20 0.65
▸ LMNA P02545 4/20 0.65
▸ CNR1 P21554 2/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ CYP3A4 P08684 5/20 0.57
▸ USP2 O75604 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ABCB11 O95342 2/20 0.57
▸ CYP2D6 P10635 1/20 0.55
▸ AR P10275 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL6 P05231 1/20 0.54
▸ SERPINA6 P08185 1/20 0.54
▸ NR3C2 P08235 1/20 0.54

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
SCHEMBL11586807 0.94 PGR (0.64) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11586806 0.94 PGR (0.64) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11585564 0.91 PGR (0.61) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11585566 0.91 PGR (0.61) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11586335 0.91 NR3C1 (0.66) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11586331 0.91 NR3C1 (0.66) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11230636 0.89 NR3C1 (0.65) PGRHIF1ANR3C1LMNACNR1
SCHEMBL23892577 0.89 NR3C1 (0.73) PGRHIF1ANR3C1LMNACNR1
SCHEMBL19393185 0.89 NR3C1 (0.73) PGRHIF1ANR3C1LMNACNR1
SCHEMBL11045196 0.89 NR3C1 (0.73) PGRHIF1ANR3C1LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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