SCHEMBL7068930

SCHEMBL7068930

CCC(CCOc1ccc(NC(=O)OC(C)(C)C)c(N)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.42
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ERAP2 Q6P179 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PTPN1 P18031 1/20 0.35
ALOX15 P16050 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
SCHEMBL7066309 0.84 RAB9A (0.47) MEN1GAAKMT2A
SCHEMBL28626965 0.81 AAK1 (0.46) AAK1HDAC1MEN1GAAKMT2A
SCHEMBL7065211 0.78 IDO1 (0.39) PPARGPPARAHDAC1MEN1GAA
SCHEMBL7068935 0.77 AAK1 (0.41) AAK1PPARGPPARAHDAC1ERAP2
SCHEMBL6492339 0.77 BRD4 (0.46) AAK1CA12CA1CA2CA9
SCHEMBL5563988 0.76 CYP1A2 (0.45) AAK1HDAC1MEN1GAAKMT2A
SCHEMBL29765467 0.75 AAK1 (0.46) AAK1HDAC1MEN1GAAKMT2A
SCHEMBL246277 0.75 AAK1 (0.46) AAK1HDAC1MEN1GAAKMT2A
SCHEMBL14876842 0.72 GAA (0.54) AAK1MEN1GAAKMT2AALOX15
SCHEMBL5563026 0.72 KCNQ3 (0.45) AAK1HDAC1GAAALOX15

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed