SCHEMBL4537100

SCHEMBL4537100

O=C(NCC1CCN(C(=O)NC2CCCCC2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 18/20 0.62
EPHX2 P34913 16/20 0.61
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL4539568 0.93 EPHX1 (0.68) EPHX1EPHX2
SCHEMBL4542890 0.84 EPHX1 (0.53) EPHX1EPHX2KDM4E
SCHEMBL4535568 0.79 EPHX2 (0.64) EPHX1EPHX2
SCHEMBL12196135 0.78 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL4537216 0.78 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL4539332 0.78 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL4540420 0.76 EPHX1 (0.63) EPHX1EPHX2
SCHEMBL652237 0.76 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL8064706 0.75 EPHX2 (0.61) EPHX1EPHX2
SCHEMBL4537103 0.75 KDM4E (0.54) EPHX1KDM4E

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed