SCHEMBL8559542

SCHEMBL8559542

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.32
NR1H4 Q96RI1 2/20 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
SCHEMBL7894065 0.93 NAAA (0.37) NAAANR1H4
SCHEMBL7022073 0.93 NAAA (0.37) NAAANR1H4
SCHEMBL8520503 0.79 NR1H4 (0.34) NAAANR1H4
SCHEMBL8558651 0.79 NR1H4 (0.37) NR1H4
SCHEMBL8520504 0.79 NR1H4 (0.34) NAAANR1H4
SCHEMBL7029550 0.77 SPHK1 (0.31) NR1H4
SCHEMBL7029558 0.77 SPHK1 (0.31) NR1H4
SCHEMBL7029554 0.77 SPHK1 (0.31) NR1H4
SCHEMBL7029559 0.77 SPHK1 (0.31) NR1H4
SCHEMBL7024010 0.77 NR1H4 (0.32) NR1H4

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-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