SCHEMBL7064560

SCHEMBL7064560

CCC(CCOc1ccc(NC(C)=O)c(NCc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36
NR4A2 P43354 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CD38 P28907 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
SCHEMBL7070085 0.93 MAPT (0.36) LMNAKDM4EGAAPPARAPPARD
SCHEMBL7065211 0.89 IDO1 (0.39) HRH3HDAC1HDAC8HDAC6KDM4E
SCHEMBL7068046 0.87 HDAC1 (0.39) HRH3LMNAHDAC1HDAC8HDAC6
SCHEMBL7160232 0.81 HDAC1 (0.42) HRH3LMNAHDAC1HDAC8HDAC6
SCHEMBL6489796 0.80 MAPT (0.42) HRH3LMNAHDAC1HDAC8HDAC6
SCHEMBL7064566 0.80 HDAC1 (0.39) LMNAHDAC1HDAC8HDAC6KDM4E
SCHEMBL7129648 0.80 LMNA (0.37) HRH3LMNAHDAC1HDAC8HDAC6
SCHEMBL7068552 0.78 KMT2A (0.43) LMNAL3MBTL1MAPK1
SCHEMBL6487724 0.78 HDAC1 (0.39) HRH3LMNAHDAC1HDAC8HDAC6
SCHEMBL7129639 0.77 HDAC1 (0.38) HRH3LMNAHDAC1HDAC8HDAC6

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