SCHEMBL7696589

SCHEMBL7696589

O=C1OCC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.39
DUT P33316 2/20 0.36
TYMP P19971 2/20 0.36
SLC6A1 P30531 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8839396 1.00 KCNH3 (0.42) KCNH3MEN1KMT2AKIF11DUT
SCHEMBL30226689 0.75 LMNA (0.48) KCNH3MEN1KMT2ATSHR
SCHEMBL9390758 0.74 KCNH3 (0.41) KCNH3MEN1KMT2A
SCHEMBL31259093 0.73 KIF11 (0.43) MEN1KMT2AKIF11SLC6A1
SCHEMBL9223044 0.72 MGLL (0.45)
SCHEMBL9029731 0.72 SMYD2 (0.43) KCNH3
SCHEMBL16225349 0.72 SMYD2 (0.43) KCNH3
SCHEMBL3685687 0.71 MAOB (0.49) KCNH3
SCHEMBL7899581 0.71 MAOB (0.49) KCNH3
SCHEMBL7906013 0.71 MAOB (0.49) KCNH3

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-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed