SCHEMBL4535939

SCHEMBL4535939

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 8/20 0.41
EPHX1 P07099 1/20 0.41
ACLY P53396 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV4 Q9HBA0 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
SCHEMBL4535088 0.96 USP30 (0.47) USP30ALDH1A1L3MBTL1TP53KMT2A
SCHEMBL4541261 0.91 EPHX2 (0.48) USP30ALDH1A1TP53KMT2AMEN1
SCHEMBL4537189 0.88 FAAH (0.49) ALDH1A1L3MBTL1TP53EPHX2ACLY
SCHEMBL4537385 0.86 KMT2A (0.43) USP30ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4539044 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53KMT2AMEN1
SCHEMBL4539885 0.85 FAAH (0.45) ALDH1A1L3MBTL1TP53EPHX2
SCHEMBL4540074 0.85 FBP1 (0.50) USP30ALDH1A1L3MBTL1TP53KMT2A
SCHEMBL4541720 0.83 POLB (0.43) USP30
SCHEMBL4537314 0.83 POLB (0.44) USP30ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4540008 0.82 MEN1 (0.50) ALDH1A1L3MBTL1TP53KMT2AMEN1

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