SCHEMBL4537182

SCHEMBL4537182

O=C(NCC1CCN(S(=O)(=O)c2ccccc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.58
EPHX1 P07099 17/20 0.58
MAPK1 P28482 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL4539882 0.95 EPHX1 (0.56) EPHX2EPHX1MAPK1
SCHEMBL8065460 0.95 EPHX1 (0.56) EPHX2EPHX1MAPK1
SCHEMBL4535935 0.89 EPHX2 (0.52) EPHX2EPHX1
SCHEMBL4537539 0.88 EPHX2 (0.56) EPHX2EPHX1MAPK1
SCHEMBL4539563 0.88 EPHX2 (0.56) EPHX2EPHX1MAPK1
SCHEMBL4537244 0.86 HSD11B1 (0.52) EPHX2EPHX1
SCHEMBL8070996 0.86 HDAC3 (0.52) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL4539753 0.86 HDAC3 (0.49) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL4535493 0.86 HDAC3 (0.52) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL4537010 0.86 EPHX2 (0.55) 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