SCHEMBL4533160

SCHEMBL4533160

Cc1ccccc1S(=O)(=O)N1CCC(CNC(=O)[C]2CCCCCCC2)CC1.[CH2].[CH2]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
USP5 P45974 1/20 0.44
CNR2 P34972 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
DCTPP1 Q9H773 3/20 0.43
SCD O00767 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL4533116 0.94 EPHX2 (0.50) EPHX2ALDH1A1RAB9AHTR7L3MBTL1
SCHEMBL4542868 0.90 EPHX2 (0.46) EPHX2ALDH1A1RAB9AHTR7L3MBTL1
SCHEMBL4542825 0.88 HDAC3 (0.53) EPHX2ALDH1A1L3MBTL1USP5KMT2A
SCHEMBL4533514 0.85 ALDH1A1 (0.53) EPHX2ALDH1A1L3MBTL1CNR2MEN1
SCHEMBL4541041 0.84 ALDH1A1 (0.62) EPHX2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4539756 0.83 HDAC3 (0.50) EPHX2ALDH1A1KMT2AMMP2MMP13
SCHEMBL4537325 0.83 MEN1 (0.51) RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4533525 0.82 KMT2A (0.48) EPHX2ALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL4541164 0.81 EPHX2 (0.56) EPHX2ALDH1A1L3MBTL1USP5MEN1
SCHEMBL4533158 0.80 EPHX2 (0.48) EPHX2ALDH1A1L3MBTL1CNR2

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