SCHEMBL28849564

SCHEMBL28849564

CCCOS(=O)(=O)C(CC)S(=O)(=O)OCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.48
CA2 P00918 12/20 0.48
CA9 Q16790 8/20 0.33
CA12 O43570 4/20 0.32
CA7 P43166 4/20 0.32
CA14 Q9ULX7 4/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL28148928 0.91 CA1 (0.41) CA1CA2TSHR
SCHEMBL1796252 0.79 CA1 (0.43) CA1CA2
SCHEMBL21998721 0.78 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL3195352 0.77 CA2 (0.50) CA1CA2CA9CA12CA7
SCHEMBL8713257 0.77 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL9715488 0.76 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL27479773 0.75 CA1 (0.60) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL17600058 0.75 CA1 (0.48) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28318664 0.75 CA1 (0.43) CA1CA2CA9
SCHEMBL28207241 0.73 CA1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107208042-A Fusion proteins, recombinant bacteria and methods of using recombinant bacteria 斯波根生物技术公司 2017-09-26 CN disclosed