SCHEMBL7025440

SCHEMBL7025440

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
SCN9A Q15858 2/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
LTA4H P09960 2/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL7025442 1.00 S1PR5 (0.33) S1PR5S1PR1SCN9ATHRATHRB
SCHEMBL7028314 0.99 SCN9A (0.33) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7028311 0.99 SCN9A (0.33) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7024117 0.96 LTA4H (0.34) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7021284 0.96 S1PR5 (0.33) S1PR5S1PR1SCN9ATHRATHRB
SCHEMBL7021291 0.96 S1PR5 (0.33) S1PR5S1PR1SCN9ATHRATHRB
SCHEMBL7024112 0.96 LTA4H (0.34) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7029741 0.95 SCN9A (0.33) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7029735 0.95 SCN9A (0.33) S1PR5S1PR1SCN9ALTA4H
SCHEMBL7021772 0.95 LTA4H (0.35) S1PR5S1PR1SCN9ALTA4H

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