SCHEMBL4533119

SCHEMBL4533119

Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.59
EPHX2 P34913 1/20 0.49
EPHX1 P07099 1/20 0.47
HSD11B2 P80365 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42

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 1.00 HSD11B1 (0.59) HSD11B1EPHX2EPHX1HSD11B2CNR1
SCHEMBL4540405 0.95 HSD11B1 (0.56) HSD11B1EPHX2EPHX1HSD11B2
SCHEMBL8061511 0.95 HSD11B1 (0.62) HSD11B1EPHX2EPHX1HSD11B2CNR1
SCHEMBL4538124 0.95 HSD11B1 (0.62) HSD11B1EPHX2EPHX1HSD11B2CNR1
SCHEMBL8070996 0.90 HDAC3 (0.52) HSD11B1EPHX2EPHX1HDAC3HDAC4
SCHEMBL4535493 0.90 HDAC3 (0.52) HSD11B1EPHX2EPHX1HDAC3HDAC4
SCHEMBL8058685 0.87 HSD11B1 (0.49) HSD11B1EPHX2HSD11B2
SCHEMBL4539129 0.86 EPHX2 (0.52) HSD11B1EPHX2EPHX1CNR1CNR2
SCHEMBL4539701 0.86 HDAC3 (0.47) HSD11B1EPHX2EPHX1HDAC3HDAC4
SCHEMBL4539839 0.85 HDAC3 (0.54) HSD11B1EPHX2EPHX1HDAC3HDAC4

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