SCHEMBL8066384

SCHEMBL8066384

O=C(NCC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C1)NC12CC3C[C@H](C1)C[C@H](C3)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
EPHX1 P07099 18/20 0.53
EPHX2 P34913 18/20 0.53

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
SCHEMBL4542472 1.00 USP30 (0.54) USP30EPHX1EPHX2
SCHEMBL4537166 0.95 USP30 (0.50) USP30EPHX1EPHX2
SCHEMBL4543056 0.94 EPHX1 (0.57) USP30EPHX1EPHX2
SCHEMBL4541039 0.89 EPHX1 (0.60) EPHX1EPHX2
SCHEMBL4537470 0.87 TAS1R3 (0.46) USP30EPHX1EPHX2
SCHEMBL4542310 0.86 EPHX2 (0.57) EPHX1EPHX2
SCHEMBL8069489 0.83 EPHX1 (0.49) EPHX1EPHX2
SCHEMBL4530345 0.83 EPHX1 (0.49) EPHX1EPHX2
SCHEMBL4535609 0.83 EPHX1 (0.65) EPHX1EPHX2
SCHEMBL8064706 0.82 EPHX2 (0.61) EPHX1EPHX2

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