SCHEMBL6979922

SCHEMBL6979922

CCOC(=O)C(Br)Cc1ccc(OCCN(C)CC2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
PPARG P37231 2/20 0.39
TTPA P49638 3/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSEN1 P49768 8/20 0.36
PTPN1 P18031 1/20 0.34
GSTO1 P78417 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
SCHEMBL6975450 0.90 PPARG (0.41) MEN1KMT2APPARGALOX5MAPT
SCHEMBL6968213 0.84 MEN1 (0.47) MEN1KMT2APDE4APDE3APPARG
SCHEMBL6979165 0.83 PPARG (0.40) MEN1KMT2APDE4APDE3APPARG
SCHEMBL6978127 0.82 TTPA (0.47) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL6977672 0.81 PPARG (0.40) MEN1KMT2APPARGALOX5MAPT
SCHEMBL10635760 0.80 MEN1 (0.50) MEN1KMT2APDE4APDE3APPARG
SCHEMBL7454938 0.78 PPARG (0.49) MEN1KMT2APDE4APDE3APPARG
SCHEMBL8484326 0.76 MEN1 (0.56) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL6977122 0.74 MEN1 (0.54) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL10638935 0.72 PPARG (0.54) MEN1KMT2APDE4APDE3APPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed
EP-0801063-A1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-10-15 EP disclosed