SCHEMBL19928560

SCHEMBL19928560

CC(C)(C)[Si](C)(C)OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COS(=O)(=O)C(F)(F)F)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
BTN3A1 O00481 1/20 0.30

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
SCHEMBL19928529 0.93 CA2 (0.32) CA2MAPTBTN3A1
SCHEMBL21727815 0.89 CA2 (0.32) CA2CA1CA9
SCHEMBL19928535 0.88
SCHEMBL15892779 0.83 CA2 (0.39) CA2CA1CA9MAPT
SCHEMBL19928526 0.83 MAPT (0.36) CA2CA1CA9MAPTBTN3A1
SCHEMBL15892778 0.81 MAPT (0.37) CA2CA1CA9MAPTBTN3A1
SCHEMBL21727775 0.81 CA2 (0.35) CA2CA1CA9BTN3A1
SCHEMBL15892816 0.81 CA2 (0.36) CA2CA1CA9MAPT
SCHEMBL9304192 0.81 BTN3A1 (0.33) MAPTBTN3A1
SCHEMBL14747384 0.80 MAPT (0.35) CA1MAPTBTN3A1

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
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed