SCHEMBL8971126

SCHEMBL8971126

CCCCCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
FPR2 P25090 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL8970995 1.00 FFAR4 (0.33) FFAR4THRATHRBGRIN1GRIN2B
SCHEMBL8971281 0.93 FFAR4 (0.32) FFAR4GRIN1GRIN2B
SCHEMBL8970987 0.91 RARB (0.34) FFAR4
SCHEMBL12999685 0.90 THRA (0.30) THRATHRB
SCHEMBL8971278 0.83 PTPN11 (0.38) THRATHRB
SCHEMBL12999672 0.83 RARB (0.31)
SCHEMBL8970556 0.82 GRIN1 (0.32) GRIN1GRIN2BFPR2TDP1
SCHEMBL8970844 0.82 GRIN1 (0.32) GRIN1GRIN2BFPR2TDP1
SCHEMBL8970531 0.82 GRIN1 (0.32) GRIN1GRIN2BFPR2TDP1
SCHEMBL8942598 0.82 FPR2 (0.32) GRIN1GRIN2BFPR2

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