SCHEMBL7022073

SCHEMBL7022073

C=CCCCC(=O)OC1CCC(c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
NR1H4 Q96RI1 2/20 0.35
SPHK1 Q9NYA1 1/20 0.31
CCR2 P41597 1/20 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
SCHEMBL7894065 1.00 NAAA (0.37) NAAANR1H4SPHK1CCR2
SCHEMBL8559542 0.93 NAAA (0.32) NAAANR1H4
SCHEMBL8558651 0.83 NR1H4 (0.37) NR1H4CCR2
SCHEMBL8520504 0.83 NR1H4 (0.34) NAAANR1H4SPHK1CCR2
SCHEMBL8520503 0.83 NR1H4 (0.34) NAAANR1H4SPHK1CCR2
SCHEMBL7024010 0.83 NR1H4 (0.32) NR1H4SPHK1
SCHEMBL7024006 0.83 NR1H4 (0.32) NR1H4SPHK1
SCHEMBL7020988 0.80
SCHEMBL7025850 0.80
SCHEMBL7025854 0.80

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