SCHEMBL20936503

SCHEMBL20936503

Cc1ccc2c(c1)B(O)OCCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 6/20 0.46
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CA4 P22748 3/20 0.37
CA7 P43166 1/20 0.35

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
SCHEMBL19851265 0.90 CA1 (0.58) CA1CA2CA9CA12PDE4A
SCHEMBL8076402 0.79 CA1 (0.62) CA1CA2CA9CA12PDE4A
SCHEMBL20919996 0.75 CA1 (0.79) CA1CA2CA9CA12PDE4A
SCHEMBL20936501 0.72 GAA (0.46) CA1CA2CA9CA12PDE4A
SCHEMBL20936500 0.71 MAPT (0.41) CA1CA2CA9CA12PDE4A
SCHEMBL20788610 0.70 CA1 (0.59) CA1CA2CA9CA12CA4
SCHEMBL23219874 0.69 CA1 (0.58) CA1CA2CA9CA12PDE4A
SCHEMBL12317636 0.69 CA1 (0.69) CA1CA2CA9CA12CA4
SCHEMBL20936552 0.69 CA1 (0.53) CA1CA2CA9CA12PDE4A
SCHEMBL24526218 0.69 CA1 (0.53) CA1CA2CA9CA12CA4

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
WO-2019079357-A1 TNIK MODULATORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed