SCHEMBL7023397

SCHEMBL7023397

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.33
NR1H4 Q96RI1 2/20 0.32
SGPL1 O95470 2/20 0.32
S1PR1 P21453 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
SPHK2 Q9NRA0 7/20 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
SCHEMBL7023400 1.00 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7023409 1.00 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7023405 1.00 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7902740 0.99 NR1H4 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7029764 0.99 NR1H4 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7902738 0.99 NR1H4 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7029759 0.99 NR1H4 (0.33) SPHK1NR1H4SGPL1S1PR1L3MBTL1
SCHEMBL7021613 0.98 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1SPHK2
SCHEMBL7021614 0.98 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1SPHK2
SCHEMBL7021610 0.98 SPHK1 (0.33) SPHK1NR1H4SGPL1S1PR1SPHK2

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