SCHEMBL8059955

SCHEMBL8059955

O=C(NCC1CCN(C(=O)Nc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.73
EPHX1 P07099 19/20 0.73

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
SCHEMBL4537216 0.94 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL4535118 0.86 EPHX2 (0.72) EPHX2EPHX1
SCHEMBL4535609 0.85 EPHX1 (0.65) EPHX2EPHX1
SCHEMBL5146592 0.84 EPHX1 (1.00) EPHX2EPHX1
SCHEMBL4537735 0.84 EPHX1 (0.63) EPHX2EPHX1
Trifluoroacetic Acid SCHEMBL4537176 0.83 EPHX1 (0.58) EPHX2EPHX1
SCHEMBL4541262 0.83 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL4193651 0.82 EPHX1 (1.00) EPHX2EPHX1
SCHEMBL4539332 0.81 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL8064706 0.81 EPHX2 (0.61) EPHX2EPHX1

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