SCHEMBL4530586

SCHEMBL4530586

Cc1cccc(S(=O)(=O)N2CCC(CNC(=O)[C]3CCCCCCC3)C2)c1.[CH2].[CH2]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
USP5 P45974 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 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
SCHEMBL4537743 0.96 EPHX2 (0.48) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4541164 0.94 EPHX2 (0.56) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4541252 0.90 EPHX2 (0.50) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4543003 0.88 CNR1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2USP5
SCHEMBL4535854 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4532819 0.88 ALDH1A1 (0.49) EPHX2KMT2AALDH1A1USP5MAPT
SCHEMBL4534333 0.87 PKM (0.50) KMT2AALDH1A1SMN1; SMN2USP5MAPT
SCHEMBL4542832 0.87 ALDH1A1 (0.54) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4537525 0.86 EPHX2 (0.50) EPHX2KMT2AMEN1ALDH1A1MAPT
SCHEMBL4539847 0.85 USP30 (0.44) MAPTL3MBTL1

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