Sugi Predict

Sugi Predict / Compounds / SCHEMBL4539759

SCHEMBL4539759

SCHEMBL4539759

Cc1c(Cl)cccc1S(=O)(=O)N1CCCC1CC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.58
▸ HSD11B2 P80365 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL4534331 0.97 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2EPHX1
SCHEMBL4541290 0.91 HSD11B1 (0.47) HSD11B1EPHX2EPHX1
SCHEMBL8070991 0.88 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL4541277 0.88 HSD11B1 (0.46) HSD11B1EPHX2EPHX1
SCHEMBL4541793 0.87 HSD11B1 (0.52) HSD11B1EPHX2EPHX1
SCHEMBL8063666 0.87 HSD11B1 (0.52) HSD11B1EPHX2EPHX1
SCHEMBL4541773 0.87 EPHX2 (0.45) HSD11B1EPHX2EPHX1
SCHEMBL4539832 0.85 HSD11B1 (0.54) HSD11B1EPHX2EPHX1
SCHEMBL8061511 0.85 HSD11B1 (0.62) HSD11B1HSD11B2EPHX2EPHX1
SCHEMBL4538124 0.85 HSD11B1 (0.62) HSD11B1HSD11B2EPHX2EPHX1

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed