SCHEMBL7160232

SCHEMBL7160232

CCC(CCOc1cc(C)c(N)c(NCc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CD38 P28907 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP1 Q9C000 1/20 0.34
P2RX7 Q99572 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR4A2 P43354 1/20 0.34
SLC26A4 O43511 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL7068046 0.87 HDAC1 (0.39) HDAC1HDAC8HDAC6CD38ATM
SCHEMBL7064560 0.81 HRH3 (0.39) HDAC1HDAC8HDAC6CD38ATM
SCHEMBL6501801 0.81 HDAC1 (0.44) HDAC1HDAC8HDAC6CD38L3MBTL1
SCHEMBL7160239 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6CD38ATM
SCHEMBL7065211 0.78 IDO1 (0.39) HDAC1HDAC8HDAC6ATML3MBTL1
SCHEMBL7070085 0.74 MAPT (0.36) EPHX2PPARAPPARDLMNANPSR1
SCHEMBL20610286 0.70 PPARA (0.57) L3MBTL1EPHX2PPARAPPARGPPARD
SCHEMBL31364981 0.69 HDAC1 (0.51) HDAC1HDAC8HDAC6CD38EPHX2
SCHEMBL7068049 0.69 CD38 (0.40) HDAC1HDAC8HDAC6CD38ATM
SCHEMBL6487898 0.69 MAPT (0.42) HDAC1HDAC8HDAC6CD38L3MBTL1

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