SCHEMBL8970743

SCHEMBL8970743

CCCCCC1CCC(OCc2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NAAA Q02083 1/20 0.32
FPR2 P25090 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
SCHEMBL12760022 0.89 NAAA (0.33) GABRA1GABRB2NAAA
SCHEMBL8970729 0.86 NAAA (0.45) NAAA
SCHEMBL12760021 0.85 NAAA (0.33) GABRA1GABRB2NAAA
SCHEMBL12760016 0.85 NAAA (0.33) NAAAFPR2
SCHEMBL8969709 0.85 SLC6A2 (0.34) FPR2
SCHEMBL8971025 0.85 NAAA (0.32) NAAA
SCHEMBL8970853 0.85 NAAA (0.32) NAAA
SCHEMBL12760020 0.83 NAAA (0.33) GABRA1GABRB2NAAA
SCHEMBL8970734 0.83 FPR2 (0.32) FPR2
SCHEMBL12759420 0.83 EPHX1 (0.32)

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