SCHEMBL4539832

SCHEMBL4539832

Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC1CNC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.54
EPHX1 P07099 13/20 0.46
EPHX2 P34913 13/20 0.46

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
SCHEMBL4541793 0.97 HSD11B1 (0.52) HSD11B1EPHX1EPHX2
SCHEMBL8063666 0.97 HSD11B1 (0.52) HSD11B1EPHX1EPHX2
SCHEMBL4534763 0.91 EPHX1 (0.52) HSD11B1EPHX1EPHX2
SCHEMBL4537063 0.88 EPHX2 (0.52) EPHX1EPHX2
SCHEMBL8067423 0.88 EPHX2 (0.52) EPHX1EPHX2
SCHEMBL4534331 0.88 HSD11B1 (0.57) HSD11B1EPHX1EPHX2
SCHEMBL8061501 0.87 HSD11B1 (0.49) HSD11B1
SCHEMBL4539750 0.85 HSD11B1 (0.52) HSD11B1
SCHEMBL4539759 0.85 HSD11B1 (0.58) HSD11B1EPHX1EPHX2
SCHEMBL4542937 0.84 EPHX2 (0.57) HSD11B1EPHX1EPHX2

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