SCHEMBL7105638

SCHEMBL7105638

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
LTA4H P09960 2/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
PTGS2 P35354 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
SCHEMBL7105648 1.00 MAPT (0.32) MAPTLTA4HS1PR5S1PR1PTGS2
SCHEMBL7026144 0.97 LTA4H (0.35) MAPTLTA4HS1PR5S1PR1
SCHEMBL7026153 0.97 LTA4H (0.35) MAPTLTA4HS1PR5S1PR1
SCHEMBL7029741 0.95 SCN9A (0.33) MAPTLTA4HS1PR5S1PR1
SCHEMBL7029735 0.95 SCN9A (0.33) MAPTLTA4HS1PR5S1PR1
SCHEMBL7021291 0.94 S1PR5 (0.33) MAPTLTA4HS1PR5S1PR1
SCHEMBL7021284 0.94 S1PR5 (0.33) MAPTLTA4HS1PR5S1PR1
SCHEMBL7021772 0.93 LTA4H (0.35) MAPTLTA4HS1PR5S1PR1
SCHEMBL7021776 0.93 LTA4H (0.35) MAPTLTA4HS1PR5S1PR1
SCHEMBL7024112 0.92 LTA4H (0.34) MAPTLTA4HS1PR5S1PR1

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