SCHEMBL8972172

SCHEMBL8972172

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)OC4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.32
S1PR1 P21453 1/20 0.32
PLA2G2D Q9UNK4 1/20 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
SCHEMBL8972478 1.00 SPHK2 (0.32) SPHK2S1PR1PLA2G2D
SCHEMBL8972790 0.92 PTPN11 (0.32) SPHK2S1PR1PLA2G2D
SCHEMBL8972420 0.88 PPARD (0.36) SPHK2S1PR1PLA2G2D
SCHEMBL8972175 0.86 SPHK2 (0.32) SPHK2S1PR1PLA2G2D
SCHEMBL8972339 0.85 GABRA1 (0.31)
SCHEMBL8971988 0.83 PLA2G2D (0.32) S1PR1PLA2G2D
SCHEMBL8971025 0.83 NAAA (0.32) PLA2G2D
SCHEMBL8970853 0.83 NAAA (0.32) PLA2G2D
SCHEMBL8972224 0.83 PLA2G2D (0.32) S1PR1PLA2G2D
SCHEMBL8970621 0.82 ALDH1A1 (0.34) S1PR1

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