SCHEMBL13586192

SCHEMBL13586192

CCCC(O)C1CCC(c2ccc(-c3ccc(CCc4ccc(OCC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 12/20 0.38
▸ FFAR1 O14842 3/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ HTR2A P28223 2/20 0.31

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
SCHEMBL12821341 0.94 FFAR4 (0.37) FFAR4FFAR1S1PR1S1PR3
SCHEMBL12823169 0.92 FFAR4 (0.39) FFAR4FFAR1HTR2A
SCHEMBL12719032 0.90 FFAR4 (0.36) FFAR4FFAR1S1PR1S1PR3HTR2A
SCHEMBL12719223 0.89 FFAR4 (0.35) FFAR4FFAR1S1PR1S1PR3
SCHEMBL12823733 0.88 FFAR4 (0.36) FFAR4
SCHEMBL12823908 0.88 FFAR1 (0.40) FFAR4FFAR1
SCHEMBL12718375 0.88 FFAR4 (0.36) FFAR4
SCHEMBL12823721 0.87 FFAR4 (0.37) FFAR4
SCHEMBL12740054 0.86 FFAR4 (0.40) FFAR4FFAR1S1PR1S1PR3HTR2A
SCHEMBL12822363 0.86 FFAR1 (0.40) FFAR1

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
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