SCHEMBL7020893

SCHEMBL7020893

CC=CCCCOc1ccc(C23CCC(CCCCC)(CC2)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.36
NR5A1 Q13285 1/20 0.35
LTA4H P09960 4/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
HSD11B1 P28845 3/20 0.33
HSD11B2 P80365 2/20 0.33
CRBN Q96SW2 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL7020888 1.00 MEN1 (0.40) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7025930 0.96 CYP3A4 (0.38) MEN1KMT2ASTSNR5A1NPC1
SCHEMBL7025927 0.96 CYP3A4 (0.38) MEN1KMT2ASTSNR5A1NPC1
SCHEMBL7025571 0.88 STS (0.37) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7025576 0.88 STS (0.37) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7028112 0.86 STS (0.36) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7028105 0.86 STS (0.36) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7021295 0.85 MEN1 (0.40) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7021289 0.85 MEN1 (0.40) MEN1KMT2ASTSNR5A1LTA4H
SCHEMBL7031224 0.84 STS (0.35) MEN1KMT2ASTSLMNAHSD11B1

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