SCHEMBL16247178

SCHEMBL16247178

CC(C)C(=O)OCC/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
GRIK1 P39086 2/20 0.30
GRIA2 P42262 2/20 0.30
GRIA4 P48058 2/20 0.30
GRIK3 Q13003 2/20 0.30
GRIK5 Q16478 2/20 0.30
GRIA1 P42261 1/20 0.30
GRIK2 Q13002 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL16247179 1.00 KDM4E (0.41) KDM4ETSHRGRIK1GRIA2GRIA4
SCHEMBL29404888 0.84 KDM4E (0.33) KDM4ETSHR
SCHEMBL16928563 0.81 KDM4E (0.37) KDM4ETSHR
SCHEMBL16928561 0.76 HCAR2 (0.43) KDM4ETSHR
SCHEMBL4946808 0.75 THRB (0.44) KDM4ETSHRAPEX1
SCHEMBL20164944 0.75 HCAR2 (0.42) KDM4ETSHR
SCHEMBL94668 0.75 THRB (0.44) KDM4ETSHRAPEX1
SCHEMBL297292 0.75 THRB (0.44) KDM4ETSHRAPEX1
SCHEMBL2766997 0.74 TSHR (0.48) KDM4ETSHR
SCHEMBL2767000 0.74 TSHR (0.48) KDM4ETSHR

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
EP-2999482-A2 PRODRUGS AND DRUGS Biogen MA Inc. (US) 2016-03-30 EP disclosed
WO-2014190056-A2 PRODRUGS AND DRUGS BIOGEN IDEC MA INC. (US) 2014-11-27 WO disclosed