SCHEMBL13586115

SCHEMBL13586115

CC(O)C1CCC(c2ccc(CCc3ccc(-c4ccc(C5CO5)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
FFAR4 Q5NUL3 8/20 0.33

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
SCHEMBL12718433 0.91 RARB (0.31) FFAR4
SCHEMBL12821265 0.88 FFAR4 (0.33) FFAR4
SCHEMBL13586607 0.88 FFAR4 (0.33) FFAR4
SCHEMBL12823165 0.87 FFAR4 (0.32) FFAR4
SCHEMBL13586111 0.86 FFAR4 (0.33) FFAR4
SCHEMBL12717149 0.86 BRD4 (0.33) FFAR4
SCHEMBL12821149 0.85 RARB (0.31) FFAR4
SCHEMBL12822421 0.85 FFAR4 (0.30) FFAR4
SCHEMBL12716818 0.84 FFAR4 (0.31) FFAR4
SCHEMBL12719215 0.84 FFAR4 (0.33) FFAR4

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed