SCHEMBL8061006

SCHEMBL8061006

O=C(NCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)NC12CCC[C@H]3CC1C[C@H](C3)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
GAA P10253 1/20 0.40
USP30 Q70CQ3 1/20 0.40
EPHX1 P07099 5/20 0.38
TRPV4 Q9HBA0 4/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 3/20 0.37
TGM2 P21980 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 0.89 LMNA (0.45) EPHX2GAAEPHX1ALDH1A1L3MBTL1
SCHEMBL8066757 0.88 ALDH1A1 (0.43) EPHX2GAAEPHX1ALDH1A1L3MBTL1
SCHEMBL8062233 0.87 HTT (0.44) EPHX2EPHX1ALDH1A1
SCHEMBL4537391 0.85 EPHX1 (0.53) EPHX2GAAEPHX1ALDH1A1
SCHEMBL4541299 0.83 EPHX1 (0.51) EPHX2EPHX1ALDH1A1
SCHEMBL8065000 0.81 EPHX2 (0.42) EPHX2EPHX1ALDH1A1L3MBTL1
SCHEMBL8061434 0.78 EPHX2 (0.42) EPHX2EPHX1
SCHEMBL4540476 0.75 EPHX2 (0.51) EPHX2EPHX1L3MBTL1
SCHEMBL8070984 0.75 KMT2A (0.45) GAAL3MBTL1
SCHEMBL4535921 0.75 EPHX1 (0.53) EPHX2EPHX1ALDH1A1

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