SCHEMBL8565060

SCHEMBL8565060

CCOC(=O)[C@@H]1CC1C(C)Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.39
CA2 P00918 10/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 7/20 0.39
CAPN9 O14815 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 1/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34

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
SCHEMBL11375660 1.00 CA1 (0.39) CA1CA2CA9CA12CAPN9
SCHEMBL25941269 0.86 CA1 (0.38) CA1CA2CA9CA12CAPN9
SCHEMBL19321646 0.85 TRPM8 (0.45) CA1CA2CA9CA12CAPN9
SCHEMBL19321648 0.85 TRPM8 (0.45) CA1CA2CA9CA12CAPN9
SCHEMBL13748535 0.85 TRPM8 (0.45) CA1CA2CA9CA12CAPN9
SCHEMBL22869421 0.85 TRPM8 (0.45) CA1CA2CA9CA12CAPN9
SCHEMBL24895109 0.83 CAPN9 (0.40) CA1CA2CA9CA12CAPN9
SCHEMBL18891702 0.81 CAPN9 (0.39) CA1CA2CA9CA12CAPN9
SCHEMBL1030989 0.81 CA1 (0.38) CA1CA2CA9CA12CAPN9
SCHEMBL19557124 0.79 CA1 (0.37) CA1CA2CA9CA12CAPN9

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-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed