SCHEMBL6975912

SCHEMBL6975912

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(COS(C)(=O)=O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.33
PTPN1 P18031 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
AR P10275 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6976195 1.00 KCNE1 (0.37) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8867944 0.84 KCNE1 (0.38) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL27551828 0.82 KCNE1 (0.39) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL979035 0.82 KCNE1 (0.38) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8868743 0.82 KCNE1 (0.38) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8867575 0.82 KCNE1 (0.38) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8487108 0.77 KCNE1 (0.34) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8868048 0.77 IDO1 (0.38) KCNE1KCNQ1POLBLMNAGAA
SCHEMBL8867319 0.77 PTPN1 (0.40) KCNE1KCNQ1LMNAGAAIDO1
SCHEMBL6966585 0.75 KCNE1 (0.32) KCNE1KCNQ1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1137122-C Heterocyclic compounds having antidiabetic, hypolipidemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them 雷迪实验室有限公司 2004-02-04 CN disclosed
EP-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
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-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed
US-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 US disclosed
CN-1221416-A Heterocyclic compounds having antidiabetic, hypolipidemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDY RESEARCH FOUNDATION (IN) 1999-06-30 CN disclosed
US-5889032-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US disclosed
EP-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO 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