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SCHEMBL8972790

SCHEMBL8972790

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)OC4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.32
▸ SPHK2 Q9NRA0 2/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PLA2G2D Q9UNK4 1/20 0.31
▸ FPR2 P25090 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
SCHEMBL8972172 0.92 SPHK2 (0.32) SPHK2S1PR1PLA2G2D
SCHEMBL8972478 0.92 SPHK2 (0.32) SPHK2S1PR1PLA2G2D
SCHEMBL8972420 0.88 PPARD (0.36) SPHK2S1PR1PLA2G2D
SCHEMBL8972166 0.86 S1PR1 (0.31) PTPN11SPHK2S1PR1FPR2
SCHEMBL8972116 0.84 FGFR2 (0.32) —
SCHEMBL8970851 0.84 NAAA (0.41) PTPN11PTPN1PTPN6FPR2
SCHEMBL8971880 0.83 S1PR1 (0.33) PTPN11S1PR1PTPN1PTPN6PLA2G2D
SCHEMBL8955134 0.83 FPR2 (0.36) PTPN11S1PR1PTPN1PTPN6FPR2
SCHEMBL8955053 0.83 FPR2 (0.36) PTPN11S1PR1PTPN1PTPN6FPR2
SCHEMBL8954956 0.83 FPR2 (0.36) PTPN11S1PR1PTPN1PTPN6FPR2

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