SCHEMBL11208901

SCHEMBL11208901

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)COC(=O)CCS(=O)(=O)O)[C@@]3(C)C[C@H](O)C12F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.77
NR3C1 P04150 5/20 0.77
PGR P06401 4/20 0.77
HRH1 P35367 1/20 0.77
FNTA P49354 1/20 0.72
FNTB P49356 1/20 0.72
AR P10275 4/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 3/20 0.55
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 2/20 0.55
SERPINA6 P08185 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
PMP22 Q01453 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL11202938 1.00 HIF1A (0.77) HIF1ANR3C1PGRHRH1FNTA
SCHEMBL11202942 1.00 HIF1A (0.77) HIF1ANR3C1PGRHRH1FNTA
SCHEMBL29440662 0.90 HIF1A (0.80) HIF1ANR3C1PGRHRH1FNTA
Fludrocortisone Acetate SCHEMBL539744 0.87 NR3C1 (1.00) HIF1ANR3C1PGRHRH1FNTA
Fludrocortisone Acetate SCHEMBL4737 0.87 NR3C1 (1.00) HIF1ANR3C1PGRHRH1FNTA
Fludrocortisone Acetate SCHEMBL10871295 0.87 NR3C1 (1.00) HIF1ANR3C1PGRHRH1FNTA
SCHEMBL11139665 0.85 NR3C1 (0.78) HIF1ANR3C1PGRHRH1FNTA
SCHEMBL11139660 0.85 NR3C1 (0.78) HIF1ANR3C1PGRHRH1FNTA
Fludrocortisone Acetate SCHEMBL20494161 0.84 NR3C1 (0.93) HIF1ANR3C1PGRHRH1FNTA
SCHEMBL8735123 0.83 NR3C1 (0.87) HIF1ANR3C1PGRHRH1FNTA

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
EP-0010056-B1 CORTICOID SULFOPROPIONIC ACID ESTERS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-08-24 EP disclosed