SCHEMBL13586154

SCHEMBL13586154

CCOc1ccc(-c2ccc(CCc3ccc(C4=CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
FFAR4 Q5NUL3 7/20 0.33
FAAH O00519 1/20 0.32
SLC5A2 P31639 1/20 0.30
S1PR1 P21453 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
KDM1A O60341 2/20 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
SCHEMBL12718335 0.92 NAAA (0.35) NAAAFFAR4FAAHS1PR1
SCHEMBL12823628 0.91 FFAR4 (0.34) FFAR4
SCHEMBL12823060 0.90 HTR2C (0.31)
SCHEMBL12823640 0.89
SCHEMBL12738713 0.87 NAAA (0.38) NAAAFFAR4S1PR1KDM1A
SCHEMBL13586494 0.86 S1PR1 (0.33) FFAR4S1PR1
SCHEMBL12738711 0.86 ESR2 (0.37) NAAAFFAR4SLC5A2S1PR1PPARD
SCHEMBL12718727 0.86 NAAA (0.38) NAAAFFAR4S1PR1KDM1A
SCHEMBL12738708 0.85 NAAA (0.36) NAAAFFAR4S1PR1KDM1A
SCHEMBL12823641 0.85 NAAA (0.39) NAAAFFAR4KDM1A

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