SCHEMBL4538124

SCHEMBL4538124

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.62
EPHX1 P07099 2/20 0.52
EPHX2 P34913 1/20 0.52
HSD11B2 P80365 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 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
SCHEMBL8061511 1.00 HSD11B1 (0.62) HSD11B1EPHX1EPHX2HSD11B2CNR1
SCHEMBL8065956 0.95 HSD11B1 (0.59) HSD11B1EPHX1EPHX2HSD11B2CNR1
SCHEMBL4533119 0.95 HSD11B1 (0.59) HSD11B1EPHX1EPHX2HSD11B2CNR1
SCHEMBL4540405 0.91 HSD11B1 (0.56) HSD11B1EPHX1EPHX2HSD11B2
SCHEMBL4539839 0.90 HDAC3 (0.54) HSD11B1EPHX1EPHX2HDAC3HDAC4
SCHEMBL4539947 0.87 EPHX2 (0.57) HSD11B1EPHX1EPHX2CNR1CNR2
SCHEMBL4542937 0.86 EPHX2 (0.57) HSD11B1EPHX1EPHX2
SCHEMBL8070996 0.85 HDAC3 (0.52) HSD11B1EPHX1EPHX2HDAC3HDAC4
SCHEMBL4535493 0.85 HDAC3 (0.52) HSD11B1EPHX1EPHX2HDAC3HDAC4
SCHEMBL4539759 0.85 HSD11B1 (0.58) HSD11B1EPHX1EPHX2HSD11B2

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