SCHEMBL4430853

SCHEMBL4430853

COc1ccc2[nH]c(S(=O)(=O)c3ccc(C)cc3)c(CCC(=O)O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
AKR1C2 P52895 1/20 0.52
MAPT P10636 2/20 0.50
GPR17 Q13304 1/20 0.49
EGFR P00533 1/20 0.48
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 4/20 0.44
KMT2A Q03164 4/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
GFER P55789 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL4219487 0.86 MAPT (0.53) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL4233003 0.85 MAPT (0.50) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL5070134 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL852717 0.79 AKR1C2 (0.76) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL4225100 0.77 MAPT (0.40) ALDH1A1KDM4EHPGDMAPTPPARG
SCHEMBL29484404 0.75 MAPT (0.51) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL4223932 0.75 MAPT (0.41) ALDH1A1KDM4EHPGDMAPTPPARG
SCHEMBL9127829 0.71 KDM4E (0.86) ALDH1A1KDM4EHPGDHSD17B10AKR1C2
SCHEMBL4542962 0.71 POLB (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL4543849 0.71 RAPGEF4 (0.37) ALDH1A1KDM4EMAPTEGFRMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648867-A4 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2008-07-23 EP claimed
JP-2007534625-A 2007-11-29 JP claimed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP claimed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 WO claimed
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
EP-2114879-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-11 EP disclosed
WO-2008109700-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
EP-1648867-A4 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2008-07-23 EP disclosed
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
EP-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
EP-1931658-A2 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-06-18 EP disclosed
EP-1819673-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-08-22 EP disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030574-A2 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2006060535-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
WO-2006060456-A2 INDOLE DERIVATIVES FOR USE AS PPAR PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 WO disclosed