SCHEMBL9980748

SCHEMBL9980748

CCCCOS(=O)(=O)OC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.47
CA2 P00918 10/20 0.47
CA9 Q16790 8/20 0.41
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9980710 0.88 CA1 (0.43) CA1CA2CA9
SCHEMBL9980822 0.83 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL10725952 0.79 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL17336089 0.79 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL17336072 0.79 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL9980761 0.79 CA1 (0.39) CA1CA2CA9
SCHEMBL28788206 0.78 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL28273691 0.78 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL780592 0.78 ALDH1A1 (0.35) CA1CA2CA9ALDH1A1
SCHEMBL19733 0.78 CA1 (0.64) CA1CA2CA9CA12CA7

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
US-8460821-B2 Non-aqueous electrolyte secondary battery, non-aqueous electrolyte, and method for fabricating non-aqueous electrolyte secondary battery GS YUASA INTERNATIONAL LTD. (JP) 2013-06-11 US disclosed
US-20110318655-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, NON-AQUEOUS ELECTROLYTE, AND METHOD FOR FABRICATNG NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY GS YUASA INTERNATIONAL LTD. (JP) 2011-12-29 US disclosed