SCHEMBL4537735

SCHEMBL4537735

O=C(NCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 19/20 0.63
EPHX2 P34913 19/20 0.63
MEN1 O00255 1/20 0.52
KMT2A Q03164 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
SCHEMBL4531019 0.94 EPHX1 (0.58) EPHX1EPHX2MEN1KMT2A
SCHEMBL4535609 0.86 EPHX1 (0.65) EPHX1EPHX2
SCHEMBL8059955 0.84 EPHX2 (0.73) EPHX1EPHX2
SCHEMBL8064706 0.82 EPHX2 (0.61) EPHX1EPHX2
SCHEMBL4541039 0.81 EPHX1 (0.60) EPHX1EPHX2
SCHEMBL4535118 0.79 EPHX2 (0.72) EPHX1EPHX2MEN1KMT2A
SCHEMBL4543056 0.79 EPHX1 (0.57) EPHX1EPHX2
SCHEMBL4537737 0.78 KMT2A (0.60) MEN1KMT2A
SCHEMBL4537216 0.78 EPHX2 (0.67) EPHX1EPHX2
SCHEMBL5146592 0.77 EPHX1 (1.00) 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 claimed