SCHEMBL29136490

SCHEMBL29136490

CCc1cc(C(=O)OC)cc(CC)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.50
XDH P47989 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11672950 0.86 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL28563630 0.84 MAPT (0.50) CA1CA2CA12CA7CA9
SCHEMBL11671459 0.83 KDM4E (0.61) CA1CA2CA12CA7CA9
SCHEMBL6948529 0.82 LMNA (0.64) CA1CA2CA12CA7CA9
SCHEMBL6901103 0.82 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL11065495 0.80 PPARA (0.49) CA1CA2CA12CA7CA9
SCHEMBL12303215 0.78 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6492578 0.78 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL24526817 0.78 KDM4E (0.46) CA1CA2CA12CA7CA9
SCHEMBL25980711 0.78 MAPT (0.45) CA1CA2CA12CA7CA9

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-117362192-A PET radioactive tracer for imaging glycine transporter Glyt2 浙江颐核医疗科技有限公司 2024-01-09 CN disclosed