SCHEMBL4536853

SCHEMBL4536853

O=C(NCC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
FBP1 P09467 1/20 0.48
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 2/20 0.43
DPP4 P27487 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 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
SCHEMBL4540074 0.96 FBP1 (0.50) EPHX1EPHX2FBP1USP30ALDH1A1
SCHEMBL4542594 0.89 MEN1 (0.47) EPHX2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4540008 0.89 MEN1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL4539370 0.87 KMT2A (0.48) FBP1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4535088 0.85 USP30 (0.47) EPHX1EPHX2USP30ALDH1A1KMT2A
SCHEMBL4537192 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4537525 0.85 EPHX2 (0.50) EPHX2USP30ALDH1A1KMT2AMEN1
SCHEMBL4539044 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL4539885 0.83 FAAH (0.45) EPHX2ALDH1A1L3MBTL1POLBTP53
SCHEMBL4542338 0.83 HCRTR1 (0.48) EPHX1EPHX2FBP1DPP4

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