SCHEMBL7022778

SCHEMBL7022778

CCCC=CCO[C@H]1CC[C@H](c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 2/20 0.35
S1PR1 P21453 1/20 0.35
NR1H4 Q96RI1 2/20 0.33
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
SCHEMBL7022777 1.00 SGPL1 (0.35) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7022774 1.00 SGPL1 (0.35) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7022768 1.00 SGPL1 (0.35) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7023661 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7023663 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7902738 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7902740 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7023669 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7029759 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1
SCHEMBL7023658 0.96 NR1H4 (0.33) SGPL1S1PR1NR1H4SPHK1

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