SCHEMBL8970518

SCHEMBL8970518

CCCCCC1CCC(COc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
KDM1A O60341 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
BRD4 O60885 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
FPR2 P25090 1/20 0.30
S1PR1 P21453 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
SCHEMBL13000851 0.93 NAAA (0.34) NAAAFFAR4KDM1ATLR9TLR8
SCHEMBL19433056 0.91 FFAR4 (0.36) NAAAFFAR4KDM1ATLR9TLR8
SCHEMBL19433057 0.91 FFAR4 (0.36) NAAAFFAR4KDM1ATLR9TLR8
SCHEMBL12759739 0.89 SSTR5 (0.33) FFAR4KDM1AGRIN1GRIN2BKCNH2
SCHEMBL8970734 0.88 FPR2 (0.32) KCNH2FPR2
SCHEMBL8932785 0.88 FFAR4 (0.38) NAAAFFAR4KDM1ATLR9TLR8
SCHEMBL8969516 0.87 SLC6A2 (0.36) NAAASLC6A2SLC6A4SLC6A3
SCHEMBL19433025 0.86 EPHX1 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL19433059 0.86 EPHX1 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL19446363 0.86 EPHX1 (0.38) HRH3SLC6A2SLC6A4SLC6A3

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
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