SCHEMBL6450157

SCHEMBL6450157

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.77
POLB P06746 1/20 0.77
APEX1 P27695 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 3/20 0.51
TP53 P04637 1/20 0.47
PLA2G4B P0C869 5/20 0.46
RARB P10826 3/20 0.43
PLA2G4A P47712 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL9223923 0.99 HTT (0.74) HTTPOLBAPEX1TDP1GAA
SCHEMBL9191710 0.96 HTT (0.70) HTTPOLBAPEX1TDP1GAA
SCHEMBL5454372 0.91 HTT (0.63) HTTPOLBAPEX1TDP1GAA
SCHEMBL10262308 0.88 HTT (0.81) HTTPOLBAPEX1TDP1GAA
SCHEMBL10262047 0.88 HTT (0.81) HTTPOLBAPEX1TDP1GAA
SCHEMBL15084291 0.88 HTT (0.81) HTTPOLBAPEX1TDP1GAA
SCHEMBL10428187 0.87 HTT (1.00) HTTPOLBAPEX1TDP1GAA
SCHEMBL1309117 0.87 HTT (1.00) HTTPOLBAPEX1TDP1GAA
SCHEMBL8682933 0.87 HTT (1.00) HTTPOLBAPEX1TDP1GAA
SCHEMBL10428461 0.87 HTT (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606354-B1 POLYMERIZABLE DICHROIC AZO DYES ROLIC AG (CH) 2012-05-30 EP disclosed
EP-1606354-A1 POLYMERIZABLE DICHROIC AZO DYES Rolic AG (CH) 2005-12-21 EP disclosed
WO-2004085547-A1 POLYMERIZABLE DICHROIC AZO DYES ROLIC AG (CH) 2004-10-07 WO disclosed
EP-1462485-A1 Polymerizable dichroic azo dyes Rolic AG (CH) 2004-09-29 EP disclosed