SCHEMBL8970464

SCHEMBL8970464

CCCCCCC1CCC(COc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.33
HMOX1 P09601 2/20 0.33
ESR1 P03372 1/20 0.32
FFAR1 O14842 4/20 0.32
PPARD Q03181 2/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
FPR2 P25090 1/20 0.31
RARB P10826 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PTPN11 Q06124 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
SCHEMBL12759837 0.93 ESR1 (0.33) FFAR4ESR1FPR2GRIN1GRIN2B
SCHEMBL8970844 0.91 GRIN1 (0.32) ESR1FPR2GRIN1GRIN2B
SCHEMBL8970556 0.91 GRIN1 (0.32) ESR1FPR2GRIN1GRIN2B
SCHEMBL8970531 0.91 GRIN1 (0.32) ESR1FPR2GRIN1GRIN2B
SCHEMBL12759921 0.90 ESR1 (0.33) FFAR4ESR1FPR2GRIN1GRIN2B
SCHEMBL12759910 0.89 CHRM2 (0.34) FFAR4
SCHEMBL13000851 0.88 NAAA (0.34) FFAR4S1PR1FPR2GRIN1GRIN2B
SCHEMBL8932755 0.88 FFAR4 (0.39) FFAR4FFAR1PPARDS1PR1S1PR3
SCHEMBL12759873 0.87 CHRM2 (0.33) FPR2
SCHEMBL8970564 0.87 SLC6A2 (0.35) FFAR4HMOX1FFAR1PPARDFPR2

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