SCHEMBL8971936

SCHEMBL8971936

CCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)C4OCC(CCCCC)CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
FPR2 P25090 1/20 0.31
PTPN11 Q06124 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARD Q03181 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
SCHEMBL8971952 0.92 PLA2G2D (0.32) S1PR1PTPN11
SCHEMBL8971848 0.88 GRM2 (0.35) S1PR1S1PR3PPARD
SCHEMBL8970534 0.86 S1PR1 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8971880 0.85 S1PR1 (0.33) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8971605 0.83 NAAA (0.31)
SCHEMBL8950130 0.83 FPR2 (0.35) S1PR1FPR2PTPN11
SCHEMBL8950136 0.83 PTPN11 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8950464 0.83 PTPN11 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8950395 0.83 PTPN11 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8950448 0.83 PTPN11 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3

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