SCHEMBL4533116

SCHEMBL4533116

Cc1ccccc1S(=O)(=O)N1CCC(CNC(=O)[C]2CCCCCCC2)C1.[CH2].[CH2]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DCTPP1 Q9H773 3/20 0.41
SCD O00767 1/20 0.41
HTR7 P34969 1/20 0.41
THRB P10828 1/20 0.41
USP5 P45974 1/20 0.41
CNR2 P34972 2/20 0.40
ATAD2 Q6PL18 1/20 0.40
CCR3 P51677 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
SCHEMBL4542868 0.96 EPHX2 (0.46) EPHX2RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4533160 0.94 EPHX2 (0.54) EPHX2RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4539756 0.88 HDAC3 (0.50) EPHX2KMT2AALDH1A1
SCHEMBL4539565 0.86 EPHX2 (0.48) EPHX2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4539751 0.85 ATM (0.50) L3MBTL1ALDH1A1
SCHEMBL4542832 0.85 ALDH1A1 (0.54) EPHX2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4538131 0.84 HDAC3 (0.46) EPHX2KMT2AALDH1A1
SCHEMBL4532819 0.83 ALDH1A1 (0.49) EPHX2RAB9AKMT2AALDH1A1USP5
SCHEMBL4531620 0.82 HSD11B1 (0.58) EPHX2MEN1KMT2AALDH1A1DCTPP1
SCHEMBL4542825 0.82 HDAC3 (0.53) EPHX2L3MBTL1KMT2AALDH1A1USP5

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