SCHEMBL6980167

SCHEMBL6980167

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(CN(C)CCO)C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
SPHK1 Q9NYA1 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
BCHE P06276 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 1/20 0.31
IDO1 P14902 1/20 0.30
LTB4R Q15722 2/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6966585 0.90 KCNE1 (0.32) KCNE1KCNQ1LMNAGAABCHE
SCHEMBL8487108 0.90 KCNE1 (0.34) KCNE1KCNQ1PTPN1LMNAGAA
SCHEMBL8867575 0.85 KCNE1 (0.38) KCNE1KCNQ1PTPN1LMNAGAA
SCHEMBL8868743 0.85 KCNE1 (0.38) KCNE1KCNQ1PTPN1LMNAGAA
SCHEMBL979035 0.85 KCNE1 (0.38) KCNE1KCNQ1PTPN1LMNAGAA
SCHEMBL6981132 0.84 RAB9A (0.39) KCNE1KCNQ1GAAMAPTL3MBTL1
SCHEMBL6968430 0.82 MCHR1 (0.37) KCNE1KCNQ1
SCHEMBL6968820 0.81 KCNH2 (0.44) LMNAMAPTMAPK1
SCHEMBL6969588 0.79 PPARG (0.47) MAPTTDP1
SCHEMBL6976223 0.79 PPARG (0.37) LMNAL3MBTL1LTB4RLTB4R2

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 3 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
US-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 US 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