SCHEMBL4542937

SCHEMBL4542937

Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.57
EPHX1 P07099 18/20 0.57
HSD11B1 P28845 1/20 0.55

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
SCHEMBL4537244 0.91 HSD11B1 (0.52) EPHX2EPHX1HSD11B1
SCHEMBL4533513 0.87 EPHX2 (0.60) EPHX2EPHX1
SCHEMBL8059951 0.87 EPHX2 (0.60) EPHX2EPHX1
SCHEMBL8061058 0.86 HSD11B1 (0.49) HSD11B1
SCHEMBL4538124 0.86 HSD11B1 (0.62) EPHX2EPHX1HSD11B1
SCHEMBL8061511 0.86 HSD11B1 (0.62) EPHX2EPHX1HSD11B1
SCHEMBL4007813 0.86 USP2 (0.61) EPHX2EPHX1HSD11B1
SCHEMBL4537182 0.85 EPHX2 (0.58) EPHX2EPHX1
SCHEMBL4541793 0.85 HSD11B1 (0.52) EPHX2EPHX1HSD11B1
SCHEMBL8063666 0.85 HSD11B1 (0.52) EPHX2EPHX1HSD11B1

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