SCHEMBL4540424

SCHEMBL4540424

O=C(NCC1CCN(S(=O)(=O)C2CCCCC2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 6/20 0.38
EPHX1 P07099 5/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.34
NAMPT P43490 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4541310 0.93 ALDH1A1 (0.46) ALDH1A1L3MBTL1EPHX2EPHX1
SCHEMBL4535726 0.81 ELOVL6 (0.41) ALDH1A1L3MBTL1EPHX2MAPK1
SCHEMBL4539044 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53
SCHEMBL4535924 0.80 ALDH1A1 (0.59) ALDH1A1L3MBTL1EPHX2TP53MAPT
SCHEMBL4537967 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1EPHX2TP53
SCHEMBL4539565 0.79 EPHX2 (0.48) ALDH1A1L3MBTL1EPHX2EPHX1TP53
SCHEMBL4537541 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1EPHX2MAPK1
SCHEMBL4535453 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1EPHX1TP53MAPT
SCHEMBL4537189 0.79 FAAH (0.49) ALDH1A1L3MBTL1EPHX2TP53
SCHEMBL4537395 0.78 USP30 (0.50) ALDH1A1L3MBTL1EPHX2EPHX1NAMPT

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