SCHEMBL4537063

SCHEMBL4537063

O=C(NCC1CCCN1S(=O)(=O)c1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.52
EPHX1 P07099 14/20 0.52
MAPK1 P28482 1/20 0.45

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
SCHEMBL8067423 1.00 EPHX2 (0.52) EPHX2EPHX1MAPK1
SCHEMBL4534763 0.97 EPHX1 (0.52) EPHX2EPHX1MAPK1
SCHEMBL4541793 0.91 HSD11B1 (0.52) EPHX2EPHX1
SCHEMBL8063666 0.91 HSD11B1 (0.52) EPHX2EPHX1
SCHEMBL4541718 0.89 EPHX1 (0.46) EPHX2EPHX1
SCHEMBL8067471 0.89 EPHX1 (0.46) EPHX2EPHX1
SCHEMBL4530191 0.89 EPHX2 (0.50) EPHX2EPHX1MAPK1
SCHEMBL4539832 0.88 HSD11B1 (0.54) EPHX2EPHX1
SCHEMBL4542459 0.86 P2RX7 (0.42)
SCHEMBL4541290 0.86 HSD11B1 (0.47) 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