SCHEMBL8960600

SCHEMBL8960600

CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.32
FPR2 P25090 2/20 0.32
S1PR1 P21453 1/20 0.32
OPRL1 P41146 8/20 0.32
DGAT1 O75907 1/20 0.32
SCN9A Q15858 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8961039 0.99 FFAR4 (0.32) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8960538 0.97 S1PR1 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8960349 0.97 FFAR4 (0.33) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8934323 0.97 OPRL1 (0.33) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8961242 0.96 PTPN11 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8960997 0.96 PTPN11 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8961251 0.96 PTPN11 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8960889 0.96 PTPN11 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8961095 0.96 S1PR1 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1
SCHEMBL8960844 0.96 PTPN11 (0.34) FFAR4FPR2S1PR1OPRL1DGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed