SCHEMBL11211928

SCHEMBL11211928

C#CC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
HIF1A Q16665 6/20 0.73
SHBG P04278 4/20 0.73
SERPINA6 P08185 4/20 0.73
LMNA P02545 4/20 0.73
HSD17B10 Q99714 4/20 0.73
MAPT P10636 3/20 0.73
CYP3A4 P08684 3/20 0.73
NFKB1 P19838 2/20 0.73
MAPK1 P28482 2/20 0.73
BLM P54132 1/20 0.73
CYP2C9 P11712 1/20 0.73
TSHR P16473 1/20 0.73
SLC22A2 O15244 1/20 0.73
SLC22A1 O15245 1/20 0.73
SLC22A3 O75751 1/20 0.73
THPO P40225 1/20 0.73
MTOR P42345 1/20 0.73
SIGMAR1 Q99720 1/20 0.73

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
SCHEMBL11211930 1.00 NR3C2 (0.73) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL11210479 0.91 NR3C2 (0.71) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL11210476 0.91 NR3C2 (0.71) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL3232371 0.90 NR3C2 (0.80) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL15763286 0.90 NR3C2 (0.80) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL142427 0.90 NR3C2 (0.80) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL19327108 0.90 NR3C2 (0.80) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL21231249 0.87 HIF1A (0.76) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
SCHEMBL4714951 0.86 SMN1; SMN2 (0.70) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6
Corticosterone SCHEMBL5669349 0.85 SMN1; SMN2 (1.00) NR3C2SMN1; SMN2HIF1ASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047016-B1 PROGESTERONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-14 EP claimed
US-4293548-A DIURETICS, ALDOSTERONE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1981-10-06 US claimed
US-4293548-A DIURETICS, ALDOSTERONE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1981-10-06 US disclosed