SCHEMBL7024112

SCHEMBL7024112

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HTR1A P08908 3/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB10 P40306 1/20 0.33

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
SCHEMBL7024117 1.00 LTA4H (0.34) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7021776 0.99 LTA4H (0.35) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7021772 0.99 LTA4H (0.35) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7021284 0.98 S1PR5 (0.33) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7021291 0.98 S1PR5 (0.33) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7029735 0.97 SCN9A (0.33) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7029741 0.97 SCN9A (0.33) LTA4HCNR1CNR2HTR1AS1PR5
SCHEMBL7025440 0.96 S1PR5 (0.33) LTA4HS1PR5S1PR1SCN9A
SCHEMBL7028311 0.95 SCN9A (0.33) LTA4HS1PR5S1PR1SCN9A
SCHEMBL7028314 0.95 SCN9A (0.33) LTA4HS1PR5S1PR1SCN9A

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