SCHEMBL5671682

SCHEMBL5671682

NC(O)(Cc1cccc(OCC2CCCCC2)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
PDK2 Q15119 3/20 0.46
PARP10 Q53GL7 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SLC2A1 P11166 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
PARP15 Q460N3 1/20 0.41

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
SCHEMBL2208831 0.77 TLR4 (0.50) PARP10SIRT2SLC2A1TLR4TLR2
SCHEMBL31220919 0.77 TLR4 (0.50) CETPPARP10SIRT2SLC2A1TLR4
SCHEMBL4569158 0.77 TLR4 (0.50) CETPPARP10SIRT2SLC2A1TLR4
SCHEMBL20946450 0.76 TLR4 (0.48) PARP10SIRT2SLC2A1TLR4TLR2
SCHEMBL6890131 0.75 CETP (0.56) CETPPDK2SIRT2
SCHEMBL2204659 0.75 CETP (0.49) CETPPARP10SIRT2SLC2A1TLR4
SCHEMBL19291583 0.75 CETP (0.49) CETPPARP10SIRT2SLC2A1TLR4
SCHEMBL31220912 0.75 TAAR1 (0.51) PARP10SIRT2SLC2A1TLR4TLR2
SCHEMBL13881548 0.75 TAAR1 (0.51) PARP10SIRT2SLC2A1TLR4TLR2
SCHEMBL8904211 0.75 CYP4F2 (0.55) CETPPARP10SIRT2SLC2A1TLR4

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 disclosed
WO-2005117869-A1 COMBINATIONS COMPRISING (S)-AMLODIPINE AND A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-12-15 WO disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed