SCHEMBL7028311

SCHEMBL7028311

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
LTA4H P09960 2/20 0.31
STS P08842 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
SCHEMBL7028314 1.00 SCN9A (0.33) SCN9AS1PR5S1PR1LTA4HSTS
SCHEMBL7025440 0.99 S1PR5 (0.33) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7025442 0.99 S1PR5 (0.33) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7021772 0.96 LTA4H (0.35) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7029741 0.96 SCN9A (0.33) SCN9AS1PR5S1PR1LTA4HSTS
SCHEMBL7021776 0.96 LTA4H (0.35) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7029735 0.96 SCN9A (0.33) SCN9AS1PR5S1PR1LTA4HSTS
SCHEMBL7021291 0.95 S1PR5 (0.33) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7024117 0.95 LTA4H (0.34) SCN9AS1PR5S1PR1LTA4H
SCHEMBL7024112 0.95 LTA4H (0.34) SCN9AS1PR5S1PR1LTA4H

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