SCHEMBL6967404

SCHEMBL6967404

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCBr)O2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.37
ALOX5 P09917 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
PDE4A P27815 1/20 0.32
PDE3A Q14432 1/20 0.32
PTPN1 P18031 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL8486214 0.91 PSEN1 (0.39) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6973597 0.90 PSEN1 (0.39) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6968210 0.90 PSEN1 (0.37) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6980438 0.84 MAPT (0.38) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL8484423 0.83 PSEN1 (0.42) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL8483767 0.82 PSEN1 (0.40) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6969686 0.82 PSEN1 (0.40) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6980211 0.82 PSEN1 (0.38) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6969675 0.82 MEN1 (0.38) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL6979514 0.82 PSEN1 (0.39) PSEN1ALOX5MEN1KMT2AMAPT

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