SCHEMBL2658396

SCHEMBL2658396

COC(=O)c1cc(O)cc(O[C@]2(C)CCNC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
LMNA P02545 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
XDH P47989 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 4/20 0.33

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
SCHEMBL2656378 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2656678 0.81 LMNA (0.47) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL2659053 0.81 LMNA (0.47) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL2657794 0.75 GCK (0.46) HPGDSTSHR
SCHEMBL2657616 0.72 MAPT (0.33) HPGDSALDH1A1MEN1KMT2AMAPT
SCHEMBL55814 0.70 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL46504 0.67 CA12 (0.91) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.67 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL2663326 0.67 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL155470 0.65 PTGER3 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed