SCHEMBL8065951

SCHEMBL8065951

O=C(NCC1CCN(S(=O)(=O)C2CCCCC2)C1)N[C@@]12CC3CCC[C@@H](CC3C1)C2

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 20/20 0.50
EPHX2 P34913 19/20 0.46

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
SCHEMBL4540420 0.90 EPHX1 (0.63) EPHX1EPHX2
SCHEMBL4541309 0.83 EPHX1 (0.70) EPHX1EPHX2
SCHEMBL4539949 0.75 EPHX1 (0.55) EPHX1EPHX2
SCHEMBL8048274 0.70 EPHX1 (0.69) EPHX1EPHX2
SCHEMBL4535721 0.70 EPHX2 (0.63) EPHX1EPHX2
SCHEMBL4540424 0.70 ALDH1A1 (0.42) EPHX1EPHX2
SCHEMBL4537966 0.69 LMNA (0.57) EPHX1EPHX2
SCHEMBL4535921 0.69 EPHX1 (0.53) EPHX1EPHX2
SCHEMBL4539041 0.69 LMNA (0.60) EPHX1EPHX2
SCHEMBL12196135 0.69 EPHX1 (1.00) EPHX1EPHX2

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