SCHEMBL13636825

SCHEMBL13636825

CCC1CCC(c2cc(F)c(-c3ccc(-c4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
FASN P49327 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPK14 Q16539 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL13615208 0.90 ALOX5AP (0.38) APPALOX5APFEN1ALDH1A1CYP3A4
SCHEMBL19844726 0.90 FASN (0.36) APPALOX5APFEN1ALDH1A1CYP3A4
SCHEMBL13636638 0.88 ALDH1A1 (0.33) ALDH1A1TLR9TLR8TLR7
SCHEMBL13615184 0.87 CYP2C9 (0.39) APPALOX5APFEN1ALDH1A1CYP3A4
SCHEMBL13002302 0.87 FASN (0.35) APPALOX5APFEN1ALDH1A1CYP3A4
SCHEMBL19844731 0.86 FASN (0.35) APPALOX5APFEN1ALDH1A1CYP3A4
SCHEMBL8101981 0.84 ALDH1A1 (0.37) ALDH1A1TLR9TLR8TLR7
SCHEMBL8101984 0.84 ALDH1A1 (0.37) ALDH1A1TLR9TLR8TLR7
SCHEMBL20111107 0.82 OPRM1 (0.33) ALDH1A1CYP3A4CYP2C9TLR9TLR8
SCHEMBL16574959 0.81 ALDH1A1 (0.35) ALDH1A1TLR9TLR8TLR7

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-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed