SCHEMBL6970202

SCHEMBL6970202

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CCN(C)CCOc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSEN1 P49768 2/20 0.37
MAPT P10636 3/20 0.36
MCHR1 Q99705 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6967803 0.93 KCNH2 (0.43) KCNH2ABCG2MEN1KMT2APSEN1
SCHEMBL10639001 0.91 PSEN1 (0.40) ABCG2MEN1KMT2APSEN1MAPT
SCHEMBL7085291 0.88 MAPT (0.37) KCNH2MEN1KMT2APSEN1MAPT
SCHEMBL6968782 0.88 PPARG (0.39) KCNH2MEN1KMT2APSEN1MAPT
SCHEMBL6977278 0.86 KCNH2 (0.45) KCNH2ABCG2MEN1KMT2APSEN1
SCHEMBL8484423 0.84 PSEN1 (0.42) MEN1KMT2APSEN1MAPTTDP1
SCHEMBL6979165 0.83 PPARG (0.40) MEN1KMT2APSEN1MAPTTDP1
SCHEMBL6967821 0.83 HPGD (0.50) MEN1KMT2APPARG
SCHEMBL6979687 0.83 HPGD (0.50) MEN1KMT2APPARG
SCHEMBL6968604 0.82 PPARG (0.46) MEN1KMT2AMAPTTDP1PPARG

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