SCHEMBL6980261

SCHEMBL6980261

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CNC(C)O)O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
PPARG P37231 1/20 0.38
GSTO1 P78417 2/20 0.38
PTPN1 P18031 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.36
GSTP1 P09211 1/20 0.36
TTPA P49638 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 2/20 0.35

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 0.84 PSEN1 (0.40) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL29670864 0.84 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL7843126 0.84 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL11440561 0.84 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL11440558 0.84 PSEN1 (0.44) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL6980822 0.82 PSEN1 (0.38) PSEN1MEN1KMT2AMAPTTDP1
SCHEMBL7056637 0.82 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTPDE4A
SCHEMBL11446496 0.82 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTPDE4A
SCHEMBL11446495 0.82 PSEN1 (0.47) PSEN1MEN1KMT2AMAPTPDE4A
SCHEMBL7839568 0.82 PSEN1 (0.42) PSEN1MEN1KMT2AMAPTTDP1

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 2 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
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