SCHEMBL7160239

SCHEMBL7160239

CCC(CCC(=O)O)Oc1cc(C)c(N)c(NCc2ccc(Cl)cc2Cl)c1

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 0.40
PPARG P37231 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP1 Q9C000 1/20 0.34
P2RX7 Q99572 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC26A4 O43511 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7068049 0.88 CD38 (0.40) HDAC1HDAC8HDAC6CD38PPARG
SCHEMBL7064566 0.82 HDAC1 (0.39) HDAC1HDAC8HDAC6CD38PPARG
SCHEMBL7160232 0.80 HDAC1 (0.42) HDAC1HDAC8HDAC6CD38PPARG
SCHEMBL7065219 0.79 IDO1 (0.38) HDAC1HDAC8HDAC6CD38PPARG
SCHEMBL6501801 0.76 HDAC1 (0.44) HDAC1HDAC8HDAC6CD38L3MBTL1
SCHEMBL27339694 0.69 TSHR (0.56) ALDH1A1POLBGAALMNANPSR1
SCHEMBL31364981 0.69 HDAC1 (0.51) HDAC1HDAC8HDAC6CD38LMNA
SCHEMBL7068046 0.68 HDAC1 (0.39) HDAC1HDAC8HDAC6CD38PPARG
SCHEMBL7129639 0.68 HDAC1 (0.38) HDAC1HDAC8HDAC6CD38ATM
SCHEMBL6831386 0.66 HDAC1 (0.41) HDAC1HDAC8HDAC6PPARGALDH1A1

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