SCHEMBL2050865

SCHEMBL2050865

CC(C)(C(=O)NC1C2CC3CC1CC(C(=O)O)(C3)C2)S(=O)(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.62
HSD11B2 P80365 7/20 0.62

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
SCHEMBL1046115 0.84 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL232344 0.82 HSD11B1 (0.67) HSD11B1HSD11B2
SCHEMBL4044105 0.80 HSD11B1 (0.69) HSD11B1HSD11B2
SCHEMBL2020114 0.79 HSD11B1 (0.69) HSD11B1HSD11B2
SCHEMBL14676361 0.78 HSD11B1 (0.84) HSD11B1HSD11B2
SCHEMBL1043722 0.76 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL232900 0.76 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL232496 0.76 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL16684474 0.75 HSD11B1 (0.84) HSD11B1HSD11B2
SCHEMBL16666552 0.75 HSD11B1 (0.84) HSD11B1HSD11B2

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
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO claimed