SCHEMBL8971880

SCHEMBL8971880

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)C4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
FPR2 P25090 1/20 0.33
PTPN11 Q06124 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PPARD Q03181 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
SCHEMBL8972224 0.93 PLA2G2D (0.32) S1PR1FPR2PTPN11S1PR5PLA2G2D
SCHEMBL8971988 0.93 PLA2G2D (0.32) S1PR1FPR2PTPN11S1PR5PLA2G2D
SCHEMBL8972128 0.89 PPARD (0.34) S1PR1FPR2PTPN11S1PR3PLA2G2D
SCHEMBL8970616 0.86 PTPN11 (0.34) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8971936 0.85 S1PR1 (0.33) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8955113 0.84 FPR2 (0.36) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8955089 0.84 FPR2 (0.36) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8954921 0.84 FPR2 (0.36) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8955134 0.84 FPR2 (0.36) S1PR1FPR2PTPN11S1PR4S1PR3
SCHEMBL8954956 0.84 FPR2 (0.36) 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