SCHEMBL7029757

SCHEMBL7029757

CC/C=C/CO[C@H]1CC[C@H](c2ccc(C34CCC(CCCCCCC)(CC3)CC4)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
NR1H4 Q96RI1 1/20 0.31
SPHK2 Q9NRA0 7/20 0.31

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
SCHEMBL7029767 1.00 SPHK1 (0.34) SPHK1NR1H4SPHK2
SCHEMBL7029760 1.00 SPHK1 (0.34) SPHK1NR1H4SPHK2
SCHEMBL7029765 1.00 SPHK1 (0.34) SPHK1NR1H4SPHK2
SCHEMBL7022187 0.99 SPHK1 (0.32) SPHK1NR1H4
SCHEMBL7022195 0.99 SPHK1 (0.32) SPHK1NR1H4
SCHEMBL7022181 0.99 SPHK1 (0.32) SPHK1NR1H4
SCHEMBL7022192 0.99 SPHK1 (0.32) SPHK1NR1H4
SCHEMBL7023397 0.93 SPHK1 (0.33) SPHK1NR1H4SPHK2
SCHEMBL7021614 0.93 SPHK1 (0.33) SPHK1NR1H4SPHK2
SCHEMBL7021613 0.93 SPHK1 (0.33) SPHK1NR1H4SPHK2

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 4 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
EP-0929509-A1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-21 EP disclosed
WO-1998013326-A1 LIQUID CRYSTAL ALKENYL BICYCLO[2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed