SCHEMBL4535381

SCHEMBL4535381

O=C(NCC1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.58
EPHX1 P07099 14/20 0.56
CYP2C9 P11712 1/20 0.52
CYP2J2 P51589 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
SCHEMBL4542310 0.94 EPHX2 (0.57) EPHX2EPHX1CYP2C9CYP2J2
SCHEMBL4531267 0.89 EPHX2 (0.66) EPHX2EPHX1CYP2C9CYP2J2
SCHEMBL4542529 0.88 EPHX2 (0.59) EPHX2CYP2C9CYP2J2
SCHEMBL8062172 0.87 EPHX2 (0.60) EPHX2CYP2C9CYP2J2
SCHEMBL4531020 0.87 EPHX2 (0.60) EPHX2CYP2C9CYP2J2
SCHEMBL4543056 0.86 EPHX1 (0.57) EPHX2EPHX1
SCHEMBL4542284 0.84 EPHX2 (0.58) EPHX2CYP2C9CYP2J2
SCHEMBL4537295 0.83 ALDH1A1 (0.49) EPHX2EPHX1CYP2C9CYP2J2
SCHEMBL4533493 0.83 ALDH1A1 (0.48) EPHX2EPHX1CYP2C9CYP2J2
SCHEMBL4537421 0.81 EPHX2 (0.59) EPHX2CYP2C9CYP2J2

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