SCHEMBL4539833

SCHEMBL4539833

Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC1CNC(=O)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.53
TP53 P04637 1/20 0.42
BDKRB2 P30411 1/20 0.40
BDKRB1 P46663 1/20 0.40

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
SCHEMBL4541794 0.97 HSD11B1 (0.54) HSD11B1TP53BDKRB2BDKRB1
SCHEMBL4534767 0.91 FAAH (0.41) HSD11B1TP53
SCHEMBL4537066 0.88 FAAH (0.42) HSD11B1
SCHEMBL4542938 0.85 HSD11B1 (0.51) HSD11B1TP53
SCHEMBL4539752 0.84 HSD11B1 (0.56) HSD11B1BDKRB2BDKRB1
SCHEMBL4530195 0.84 NPC1 (0.47)
SCHEMBL4539656 0.83 POLB (0.40) BDKRB1
SCHEMBL4539344 0.81 BDKRB1 (0.48) BDKRB1
SCHEMBL4542098 0.81 HTR1A (0.48)
SCHEMBL4537246 0.81 HSD11B1 (0.56) HSD11B1TP53

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