SCHEMBL4540405

SCHEMBL4540405

Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.56
EPHX2 P34913 1/20 0.45
EPHX1 P07099 1/20 0.44
HSD11B2 P80365 1/20 0.44

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
SCHEMBL8065956 0.95 HSD11B1 (0.59) HSD11B1EPHX2EPHX1HSD11B2
SCHEMBL4533119 0.95 HSD11B1 (0.59) HSD11B1EPHX2EPHX1HSD11B2
SCHEMBL8058685 0.92 HSD11B1 (0.49) HSD11B1EPHX2HSD11B2
SCHEMBL4539701 0.91 HDAC3 (0.47) HSD11B1EPHX2EPHX1
SCHEMBL4538124 0.91 HSD11B1 (0.62) HSD11B1EPHX2EPHX1HSD11B2
SCHEMBL8061511 0.91 HSD11B1 (0.62) HSD11B1EPHX2EPHX1HSD11B2
SCHEMBL4537244 0.88 HSD11B1 (0.52) HSD11B1EPHX2EPHX1
SCHEMBL4537439 0.87 EPHX2 (0.48) HSD11B1EPHX2EPHX1
SCHEMBL8070996 0.86 HDAC3 (0.52) HSD11B1EPHX2EPHX1
SCHEMBL4535493 0.86 HDAC3 (0.52) HSD11B1EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed