SCHEMBL8066757

SCHEMBL8066757

O=C(NCC1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1)NC12CCC[C@@H]3CC(CC1C3)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 8/20 0.42
EPHX2 P34913 8/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HSD11B1 P28845 1/20 0.39
NAMPT P43490 2/20 0.36
GAA P10253 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8060149 0.90 LMNA (0.45) ALDH1A1L3MBTL1EPHX1EPHX2GAA
SCHEMBL8061006 0.88 EPHX2 (0.41) ALDH1A1L3MBTL1EPHX1EPHX2GAA
SCHEMBL8062233 0.88 HTT (0.44) ALDH1A1EPHX1EPHX2
SCHEMBL8065000 0.85 EPHX2 (0.42) ALDH1A1L3MBTL1EPHX1EPHX2HSD11B1
SCHEMBL4535452 0.85 EPHX2 (0.58) ALDH1A1L3MBTL1EPHX1EPHX2
SCHEMBL4537354 0.79 EPHX1 (0.63) ALDH1A1L3MBTL1EPHX1EPHX2
SCHEMBL8061434 0.79 EPHX2 (0.42) EPHX1EPHX2
SCHEMBL8062877 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1EPHX1EPHX2
SCHEMBL8062904 0.77 EPHX2 (0.59) ALDH1A1L3MBTL1EPHX1EPHX2
SCHEMBL4543052 0.74 NPC1 (0.48) ALDH1A1EPHX1EPHX2AKR1C3AKR1C1

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 1 patent. 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 disclosed