SCHEMBL5491044

SCHEMBL5491044

CCCCCCCCCCCCCCCCOc1cc(C(=O)OCC)cc(C(=O)OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.64
ESR1 P03372 3/20 0.59
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SMPD1 P17405 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL9387912 0.97 PLA2G2A (0.69) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL20958112 0.97 PLA2G2A (0.69) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL5561218 0.94 PLA2G2A (0.75) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL19228939 0.92 PLA2G2A (0.59) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL19228932 0.92 PLA2G2A (0.59) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL19228928 0.92 PLA2G2A (0.59) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL19231629 0.91 CA12 (0.61) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL13411234 0.91 CA12 (0.61) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL13411227 0.91 CA12 (0.61) PLA2G2AESR1AKR1C4AKR1C3AKR1C2
SCHEMBL5962132 0.88 PLA2G2A (0.60) PLA2G2AESR1AKR1C4AKR1C3AKR1C2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037061-A1 Polymer electrolyte complex THE UNIVERSITY OF SHEFFIELD (GB) 2007-02-15 US disclosed
US-20070037061-A1 Polymer electrolyte complex THE UNIVERSITY OF SHEFFIELD (GB) 2007-02-15 US disclosed
US-20070009805-A1 Polymer electrolyte THE UNIVERSITY OF SHEFFIELD (GB) 2007-01-11 US disclosed
US-20070009805-A1 Polymer electrolyte THE UNIVERSITY OF SHEFFIELD (GB) 2007-01-11 US disclosed
WO-2006051323-A1 POLYMER ELECTROLYTE THE UNIVERSITY OF SHEFFIELD (GB) 2006-05-18 WO disclosed
EP-1623475-A2 POLYMER ELECTROLYTE COMPLEX The University Of Sheffield (GB) 2006-02-08 EP disclosed
EP-1623474-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2006-02-08 EP disclosed
WO-2004102693-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2004-11-25 WO disclosed
WO-2004102692-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2004-11-25 WO disclosed