SCHEMBL8972166

SCHEMBL8972166

CCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)OC4OCC(CCCCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
FPR2 P25090 1/20 0.30
PTPN11 Q06124 1/20 0.30
SPHK2 Q9NRA0 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
SCHEMBL8972175 0.91 SPHK2 (0.32) S1PR1SPHK2
SCHEMBL8972790 0.86 PTPN11 (0.32) S1PR1FPR2PTPN11SPHK2
SCHEMBL8972099 0.85 PPARD (0.37)
SCHEMBL8970751 0.84 NAAA (0.39) FPR2PTPN11
SCHEMBL8972645 0.84
SCHEMBL8971936 0.82 S1PR1 (0.33) S1PR1FPR2PTPN11
SCHEMBL8950130 0.82 FPR2 (0.35) S1PR1FPR2PTPN11
SCHEMBL8950409 0.81 PTPN11 (0.34) S1PR1FPR2PTPN11
SCHEMBL8950136 0.81 PTPN11 (0.34) S1PR1FPR2PTPN11
SCHEMBL8950395 0.81 PTPN11 (0.34) S1PR1FPR2PTPN11

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