SCHEMBL28838481

SCHEMBL28838481

CCCCCCOS(=O)(=O)C(CCCCCC)CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.59
CA2 P00918 16/20 0.59
CA9 Q16790 14/20 0.59
CA12 O43570 5/20 0.59
CA7 P43166 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA3 P07451 4/20 0.59
CA4 P22748 4/20 0.59
CA6 P23280 4/20 0.59
CA5A P35218 4/20 0.59
CA5B Q9Y2D0 4/20 0.59
RECQL P46063 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
BLM P54132 1/20 0.52
CES2 O00748 1/20 0.38

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
SCHEMBL28628028 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL10779661 0.98 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL10784610 0.98 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL28670879 0.96 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL27486353 0.92 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL17728747 0.86 CA1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL28797789 0.86 CA1 (0.54) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL27883467 0.86 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL28872626 0.84 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL17728736 0.83 TP53 (0.45) 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-115038742-A Organic ion conductive polymer gel elastomer and preparation method thereof 高丽大学校产学协力团 2022-09-09 CN disclosed