SCHEMBL6980822

SCHEMBL6980822

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CNCCCl)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.38
PPARG P37231 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
GSTO1 P78417 2/20 0.33
PTPN1 P18031 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
SCHEMBL6971766 0.90 PSEN1 (0.40) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL8485403 0.84 HTR1A (0.41) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL6980261 0.82 PSEN1 (0.43) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL7839568 0.82 PSEN1 (0.42) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL11440561 0.82 PSEN1 (0.44) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL7843126 0.82 PSEN1 (0.44) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL11440558 0.82 PSEN1 (0.44) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL29670864 0.82 PSEN1 (0.44) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL6968237 0.82 MEN1 (0.41) PSEN1PPARGMEN1KMT2AMAPT
SCHEMBL11601587 0.82 PSEN1 (0.42) PSEN1PPARGMEN1KMT2AMAPT

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