SCHEMBL8062873

SCHEMBL8062873

O=C(NCC1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F)NC12C[C@@H]3C[C@H]4C[C@H](C1)C2(C4)C3

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 2/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4541739 0.87 EPHX2 (0.48) HCRTR1ALDH1A1MEN1KMT2AEPHX1
SCHEMBL8062526 0.85 NPC1 (0.38) ALDH1A1KMT2AEPHX1EPHX2
SCHEMBL8053617 0.83 RAB9A (0.44) EPHX1EPHX2
SCHEMBL8068363 0.83 HCRTR1 (0.41) HCRTR1ALDH1A1GAAMEN1KMT2A
SCHEMBL8061501 0.81 HSD11B1 (0.49)
SCHEMBL8066489 0.79 RAB9A (0.43) HCRTR1
SCHEMBL8066636 0.79 RAB9A (0.46) ALDH1A1GAA
SCHEMBL8068354 0.79 PSEN1 (0.47) ALDH1A1L3MBTL1EPHX2
SCHEMBL8063759 0.78 HTR1A (0.42) EPHX2
SCHEMBL8060003 0.77 RAB9A (0.41) ALDH1A1

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