SCHEMBL4542938

SCHEMBL4542938

Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CNC(=O)N[C]2CCCCCCC2)CC1.[CH2].[CH2]

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 2/20 0.46
FAAH O00519 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX1 P07099 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
SCHEMBL4537246 0.92 HSD11B1 (0.56) HSD11B1TP53EPHX2DCTPP1
SCHEMBL4533514 0.87 ALDH1A1 (0.53) ALDH1A1L3MBTL1EPHX2FAAHEPHX1
SCHEMBL4541794 0.86 HSD11B1 (0.54) HSD11B1TP53
SCHEMBL4537189 0.85 FAAH (0.49) HSD11B1TP53ALDH1A1L3MBTL1EPHX2
SCHEMBL4539833 0.85 HSD11B1 (0.53) HSD11B1TP53
SCHEMBL4539885 0.82 FAAH (0.45) HSD11B1TP53ALDH1A1L3MBTL1EPHX2
SCHEMBL4539565 0.81 EPHX2 (0.48) TP53ALDH1A1L3MBTL1EPHX2FAAH
SCHEMBL8064757 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1L3MBTL1EPHX2FAAH
SCHEMBL4538175 0.81 ALDH1A1 (0.57) TP53ALDH1A1L3MBTL1EPHX2LMNA
SCHEMBL4539894 0.81 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNARAB9A

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