SCHEMBL13263149

SCHEMBL13263149

BCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.34
FFAR4 Q5NUL3 1/20 0.34
DGAT1 O75907 1/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NAAA Q02083 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
SCHEMBL13000855 0.97 OPRL1 (0.33) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8932615 0.93 OPRL1 (0.36) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934276 0.91 OPRL1 (0.35) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL13000053 0.91 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL8934233 0.90 S1PR1 (0.36) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8960361 0.90 OPRL1 (0.34) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934081 0.89 OPRL1 (0.34) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8934063 0.89 NAAA (0.37) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL13666233 0.88 FFAR4 (0.39) OPRL1FFAR4DGAT1GRIN1GRIN2B
SCHEMBL8960531 0.88 OPRL1 (0.33) OPRL1FFAR4DGAT1GRIN1GRIN2B

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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed