SCHEMBL7018294

SCHEMBL7018294

CC/C=C/C(=O)Oc1ccc(C23CCC(CCCCC)(CC2)CC3)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
STS P08842 1/20 0.31
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 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
SCHEMBL7018297 1.00 SCN9A (0.33) SCN9AS1PR5S1PR1STSHSD11B1
SCHEMBL7023084 0.99 S1PR5 (0.34) SCN9AS1PR5S1PR1STS
SCHEMBL7023081 0.99 S1PR5 (0.34) SCN9AS1PR5S1PR1STS
SCHEMBL7021772 0.93 LTA4H (0.35) SCN9AS1PR5S1PR1
SCHEMBL7028314 0.93 SCN9A (0.33) SCN9AS1PR5S1PR1STS
SCHEMBL7029735 0.93 SCN9A (0.33) SCN9AS1PR5S1PR1STS
SCHEMBL7028311 0.93 SCN9A (0.33) SCN9AS1PR5S1PR1STS
SCHEMBL7029741 0.93 SCN9A (0.33) SCN9AS1PR5S1PR1STS
SCHEMBL7021776 0.93 LTA4H (0.35) SCN9AS1PR5S1PR1
SCHEMBL7024023 0.93

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929509-B1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2003-01-15 EP disclosed
US-6187393-B1 FOR LIQUID CRYSTAL DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-13 US disclosed