SCHEMBL7023663

SCHEMBL7023663

CCCCC=CCOC1CCC(c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.33
SGPL1 O95470 2/20 0.32
S1PR1 P21453 1/20 0.32
SPHK1 Q9NYA1 3/20 0.32

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
SCHEMBL7023661 1.00 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7023669 1.00 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7023658 1.00 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7021610 0.99 SPHK1 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7021614 0.99 SPHK1 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7021605 0.99 SPHK1 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7021613 0.99 SPHK1 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7902738 0.98 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7029759 0.98 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1
SCHEMBL7902740 0.98 NR1H4 (0.33) NR1H4SGPL1S1PR1SPHK1

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