SCHEMBL1899658

SCHEMBL1899658

Cc1ccc(Oc2cccc(C(NCC(O)C(F)(F)F)c3cc(C(F)(F)F)ccc3F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.42
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
RAB9A P51151 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL5671099 1.00 CETP (0.42) CETPHTR2ASLC6A4KCNH2TLR8
SCHEMBL6435008 0.93 CETP (0.40) CETPIDO1TDO2
SCHEMBL6064713 0.93 CETP (0.40) CETPIDO1TDO2
SCHEMBL6571229 0.93 CETP (0.41) CETPKCNH2IDO1TDO2
SCHEMBL994517 0.93 CETP (0.41) CETPHTR2ASLC6A4KCNH2TLR8
SCHEMBL6565905 0.93 CETP (0.41) CETPKCNH2IDO1TDO2
SCHEMBL6274625 0.93 CETP (0.41) CETPHTR2ASLC6A4KCNH2TLR8
SCHEMBL1565225 0.92 CETP (0.41) CETPTLR8TLR7IDO1TDO2
SCHEMBL5671186 0.92 CETP (0.41) CETPTLR8TLR7IDO1TDO2
SCHEMBL6566052 0.92 IDO1 (0.43) CETPIDO1TDO2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
EP-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP disclosed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed