SCHEMBL12836799

SCHEMBL12836799

CCCC(O)c1ccc(C(=O)OC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.34
CAMKK1 Q8N5S9 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
NAAA Q02083 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PTPRC P08575 1/20 0.31
DHODH Q02127 1/20 0.31
DGAT1 O75907 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
FPR2 P25090 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
SCHEMBL11938880 0.93 NAAA (0.35) FFAR4CAMKK1CAMKK2FGFR1FGFR2
SCHEMBL11939343 0.91 FFAR4 (0.35) FFAR4CAMKK1CAMKK2FGFR1FGFR2
SCHEMBL15381617 0.91 FFAR4 (0.39) FFAR4CAMKK1CAMKK2FGFR1FGFR2
SCHEMBL11939858 0.90 MAPT (0.32) PTGS1PTGS2
SCHEMBL11939261 0.90 MAPT (0.32) PTGS1PTGS2
SCHEMBL11939861 0.90 FFAR4 (0.32) FFAR4
SCHEMBL12223343 0.88 MAPT (0.34) CAMKK1CAMKK2
SCHEMBL11938847 0.88 FPR2 (0.36) FFAR4CAMKK1CAMKK2FGFR1FGFR2
SCHEMBL12224035 0.87 MAPT (0.31)
SCHEMBL15381721 0.87 SCN9A (0.39) FFAR4CAMKK1CAMKK2FGFR1FGFR2

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-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 WO disclosed