SCHEMBL2467702

SCHEMBL2467702

CCOC(=O)COc1ccc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
HPGD P15428 2/20 0.37
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARD Q03181 6/20 0.35
PPARA Q07869 4/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
PPARG P37231 3/20 0.34
PDK2 Q15119 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDH1 O75874 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
SCHEMBL2464883 0.91 PPARD (0.41) PPARDPPARAPPARGNR1H4
SCHEMBL2464909 0.84 PPARA (0.50) PPARDPPARAPPARG
SCHEMBL2492777 0.83 PPARA (0.41) PPARDPPARAPPARGNR1H4
SCHEMBL1765914 0.78 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL12732403 0.78 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL2467481 0.77 PPARD (0.38) PPARDPPARAPPARG
SCHEMBL2466122 0.77 PPARD (0.45) HPGDHSD17B10PPARDPPARAMAPT
SCHEMBL2462566 0.77 PPARD (0.40) HPGDHSD17B10PPARDPPARAMAPT
SCHEMBL4752337 0.77 PPARG (0.34) KDM4EPPARDPPARAMAPTPPARG
SCHEMBL2463130 0.77 WNT3A (0.36) HSD17B10PPARDPPARAPPARGNR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424330-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2011-09-28 EP disclosed