SCHEMBL6829611

SCHEMBL6829611

CCOC(=O)N(C)c1ccc(CNc2cc(OCCCC(=O)O)ccc2NC(C)=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
P4HB P07237 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.32
SETD1B Q9UPS6 1/20 0.32

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
SCHEMBL6489966 0.93 BRD4 (0.37) TDP1DRD2PPARG
SCHEMBL6829609 0.82 FFAR1 (0.40) FFAR4FFAR1TDP1ALDH1A1MAPT
SCHEMBL6497406 0.81 BRD4 (0.41) FFAR4FFAR1TDP1DRD2MAPT
SCHEMBL6489796 0.80 MAPT (0.42) TDP1ALDH1A1MAPTMEN1NPC1
SCHEMBL6491416 0.74 PPARG (0.41) FFAR4FFAR1KDM4EALDH1A1PPARG
SCHEMBL6496310 0.74 THRB (0.41) DRD2KDM4EP4HBNPSR1MEN1
SCHEMBL7070089 0.73 FFAR1 (0.36) FFAR4FFAR1TDP1KDM4EALDH1A1
SCHEMBL6492219 0.73 DRD2 (0.36) DRD2KDM4EP4HBNPSR1MAPK1
SCHEMBL6487724 0.72 HDAC1 (0.39) ALDH1A1PPARGMAPTMEN1NPC1
SCHEMBL7070085 0.72 MAPT (0.36) FFAR4FFAR1TDP1KDM4EALDH1A1

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