SCHEMBL14734663

SCHEMBL14734663

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C(N)=C/c2ccc(O)c(O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
POLB P06746 1/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DNM1 Q05193 3/20 0.47
APP P05067 7/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14734620 0.94 HTT (0.58) HTTPOLBAPEX1TDP1DNM1
SCHEMBL14734629 0.83 HTT (0.53) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734632 0.82 HTT (0.57) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734638 0.82 HTT (0.56) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734645 0.82 HTT (0.51) HTTPOLBAPEX1TDP1GAA
SCHEMBL14605719 0.78 TDP1 (0.43) HTTPOLBAPEX1TDP1APP
SCHEMBL13925724 0.77 PRSS1 (0.49) HTTPOLBAPEX1TDP1APP
SCHEMBL9225800 0.77 HTT (0.74) HTTPOLBAPEX1TDP1GAA
SCHEMBL12214117 0.76 HTT (0.68) HTTPOLBAPEX1TDP1GAA
SCHEMBL9114019 0.76 HTT (0.68) HTTPOLBAPEX1TDP1GAA

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-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO disclosed