SCHEMBL4537385

SCHEMBL4537385

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 6/20 0.43
ACLY P53396 1/20 0.42
USP5 P45974 1/20 0.42
USP30 Q70CQ3 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41
POLB P06746 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
F10 P00742 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4537314 0.96 POLB (0.44) KMT2AMEN1EPHX2USP30TRPV4
SCHEMBL4537039 0.95 EPHX2 (0.47) KMT2AMEN1EPHX2USP5TRPV4
SCHEMBL4539756 0.88 HDAC3 (0.50) KMT2AEPHX2ACLYALDH1A1
SCHEMBL4535939 0.86 USP30 (0.48) KMT2AMEN1EPHX2ACLYUSP30
SCHEMBL4535273 0.85 HTT (0.51) KMT2AMEN1USP5POLBSLC13A5
SCHEMBL4538131 0.84 HDAC3 (0.46) KMT2AEPHX2POLBALDH1A1
SCHEMBL4535854 0.84 KMT2A (0.47) KMT2AMEN1SLC13A5ALDH1A1
SCHEMBL4535088 0.83 USP30 (0.47) KMT2AMEN1EPHX2USP30TRPV4
SCHEMBL4542825 0.82 HDAC3 (0.53) KMT2AEPHX2USP5ALDH1A1
SCHEMBL4530295 0.82 POLB (0.44) POLB

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