SCHEMBL4537216

SCHEMBL4537216

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.67
EPHX1 P07099 18/20 0.67
MAPK1 P28482 1/20 0.54

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
SCHEMBL8059955 0.94 EPHX2 (0.73) EPHX2EPHX1
SCHEMBL4539332 0.88 EPHX2 (0.67) EPHX2EPHX1MAPK1
SCHEMBL8064706 0.87 EPHX2 (0.61) EPHX2EPHX1
SCHEMBL4541039 0.86 EPHX1 (0.60) EPHX2EPHX1
SCHEMBL4531019 0.84 EPHX1 (0.58) EPHX2EPHX1
Trifluoroacetic Acid SCHEMBL4534264 0.84 EPHX1 (0.54) EPHX2EPHX1
SCHEMBL4542438 0.83 EPHX2 (0.62) EPHX2EPHX1
SCHEMBL4535118 0.82 EPHX2 (0.72) EPHX2EPHX1MAPK1
SCHEMBL8066384 0.81 USP30 (0.54) EPHX2EPHX1
SCHEMBL4542472 0.81 USP30 (0.54) 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 2 patents. 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 claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed