SCHEMBL7081603

SCHEMBL7081603

CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)S[C@H]2CCOC2=O)O1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.77
▸ CYP3A4 P08684 3/20 0.42
▸ PGR P06401 2/20 0.42
▸ AR P10275 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL7905929 1.00 NR3C1 (0.77) NR3C1CYP3A4PGRARUSP2
SCHEMBL8197072 0.91 NR3C1 (0.75) NR3C1CYP3A4PGRARUSP2
SCHEMBL8068364 0.87 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
SCHEMBL7899988 0.87 NR3C1 (0.69) NR3C1CYP3A4PGRARUSP2
SCHEMBL7081817 0.86 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL8674574 0.86 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL7894330 0.86 NR3C1 (0.62) NR3C1CYP3A4PGRARUSP2
SCHEMBL7903153 0.86 NR3C1 (0.65) NR3C1CYP3A4PGRARLMNA
SCHEMBL8138913 0.85 NR3C1 (0.66) NR3C1CYP3A4PGRARUSP2
SCHEMBL7894324 0.85 NR3C1 (0.68) NR3C1CYP3A4PGRARUSP2

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-1173430-B1 ENANTIOMERS OF MERCAPTO LACTONES AND PROCESSES FOR THEIR SYNTHESIS GLAXO GROUP LTD (GB) 2003-07-09 — — EP disclosed
EP-1173430-A1 ENANTIOMERS OF MERCAPTO LACTONES AND PROCESSES FOR THEIR SYNTHESIS GLAXO GROUP LIMITED (GB) 2002-01-23 — — EP disclosed
WO-2000064882-A2 ENANTIOMERS OF MERCAPTO LACTONES AND PROCESSES FOR THEIR SYNTHESIS GLAXO GROUP LIMITED (GB) 2000-11-02 — — WO disclosed
Send feedback