SCHEMBL6968631

SCHEMBL6968631

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CCN(C)CCCl)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.40
ALOX5 P09917 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36
GSTO1 P78417 2/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6968210 0.91 PSEN1 (0.37) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL8484423 0.90 PSEN1 (0.42) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL6979341 0.90 PSEN1 (0.42) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL7085291 0.85 MAPT (0.37) PSEN1ALOX5MEN1KMT2APPARG
SCHEMBL6980211 0.83 PSEN1 (0.38) PSEN1ALOX5MEN1KMT2APPARG
SCHEMBL6968782 0.82 PPARG (0.39) PSEN1ALOX5MEN1KMT2APPARG
SCHEMBL11446496 0.82 PSEN1 (0.47) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL7056637 0.82 PSEN1 (0.47) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL11446495 0.82 PSEN1 (0.47) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL8486214 0.82 PSEN1 (0.39) PSEN1ALOX5MEN1KMT2APDE4A

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