SCHEMBL7068935

SCHEMBL7068935

CCC(CCC(=O)O)Oc1ccc(NC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.41
HDAC1 Q13547 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CNR2 P34972 1/20 0.34
ERAP2 Q6P179 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP17A1 P05093 1/20 0.33
ELANE P08246 1/20 0.33
LTA4H P09960 1/20 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
SCHEMBL7066317 0.83 KMT2A (0.47)
SCHEMBL28626965 0.78 AAK1 (0.46) AAK1HDAC1
SCHEMBL7068930 0.77 AAK1 (0.42) AAK1HDAC1PPARGPPARAERAP2
SCHEMBL246277 0.76 AAK1 (0.46) AAK1HDAC1
SCHEMBL29765467 0.76 AAK1 (0.46) AAK1HDAC1
SCHEMBL5563026 0.73 KCNQ3 (0.45) AAK1HDAC1CYP17A1
SCHEMBL5563988 0.72 CYP1A2 (0.45) AAK1HDAC1S1PR3CYP17A1
SCHEMBL6492339 0.72 BRD4 (0.46) AAK1LTA4H
SCHEMBL15160030 0.71 GAA (0.52) AAK1CYP17A1
SCHEMBL3410364 0.71 HPGD (0.49) AAK1CYP17A1

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