SCHEMBL7129639

SCHEMBL7129639

CCC(CC(C)(C)C(=O)O)Oc1ccc(NC(C)=O)c(NCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
CD38 P28907 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NLRP1 Q9C000 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL7132250 0.88 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7064566 0.85 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EHSD17B10
SCHEMBL7129648 0.81 LMNA (0.37) HDAC1HDAC8HDAC6KDM4EHSD17B10
SCHEMBL7065219 0.78 IDO1 (0.38) HDAC1HDAC8HDAC6KDM4EHSD17B10
SCHEMBL7064560 0.77 HRH3 (0.39) HDAC1HDAC8HDAC6KDM4EHSD17B10
SCHEMBL7070089 0.76 FFAR1 (0.36) KDM4ELMNAGAAHTTALDH1A1
SCHEMBL6487724 0.76 HDAC1 (0.39) HDAC1HDAC8HDAC6LMNACD38
SCHEMBL7130856 0.73 KMT2A (0.53) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL6489796 0.72 MAPT (0.42) HDAC1HDAC8HDAC6LMNAGAA
SCHEMBL7068049 0.72 CD38 (0.40) HDAC1HDAC8HDAC6LMNACD38

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