SCHEMBL11588127

SCHEMBL11588127

CCCCCCCCCCCC(=O)O[C@]1(C(=O)COC(=O)CC)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 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.63
▸ PGR P06401 8/20 0.63
▸ HIF1A Q16665 7/20 0.63
▸ USP2 O75604 6/20 0.63
▸ LMNA P02545 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ CNR1 P21554 3/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ NR1I2 O75469 2/20 0.60
▸ CYP2D6 P10635 1/20 0.59
▸ ADORA3 P0DMS8 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ AR P10275 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ TBXA2R P21731 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
SCHEMBL11588122 1.00 NR3C1 (0.63) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL19681910 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL11045196 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL11054196 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL19393185 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL23892577 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL11054207 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL11045199 0.93 NR3C1 (0.73) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL20827663 0.89 NR3C1 (0.68) NR3C1PGRHIF1AUSP2LMNA
SCHEMBL11585021 0.89 NR3C1 (0.68) NR3C1PGRHIF1AUSP2LMNA

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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