SCHEMBL18079161

SCHEMBL18079161

Fc1cc(OCCCCCCCCCCOc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
PDK2 Q15119 8/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
FFAR1 O14842 2/20 0.36
MAOB P27338 1/20 0.36
CYP2C9 P11712 2/20 0.36
MOGAT2 Q3SYC2 2/20 0.36

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
SCHEMBL15581089 0.93 S1PR1 (0.38) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL18079176 0.90 ALOX5AP (0.35) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL19891897 0.88 LSS (0.34) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL18079214 0.87 FFAR4 (0.33) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL18079250 0.86 ALOX5AP (0.36) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL18079305 0.86 ALOX5AP (0.37) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL19801796 0.85 PTGS2 (0.44) FFAR4PDK2ALOX5APFEN1FFAR1
SCHEMBL19887946 0.85 CYP2C9 (0.33) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL2480884 0.84 S1PR1 (0.40) FFAR4PDK2ALOX5APFEN1S1PR1
SCHEMBL19891957 0.84 FFAR4 (0.34) FFAR4PDK2ALOX5APFEN1S1PR1

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
WO-2016143634-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL JNC株式会社 2016-09-15 WO disclosed