SCHEMBL7025816

SCHEMBL7025816

CCCC=CCOc1ccc(C23CCC(CCC)(CC2)CC3)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
AOC3 Q16853 1/20 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
SCHEMBL7025811 1.00 MEN1 (0.32) MEN1KMT2ATSHRAOC3
SCHEMBL7029584 0.96 MEN1 (0.30) MEN1KMT2ATSHR
SCHEMBL7029593 0.96 MEN1 (0.30) MEN1KMT2ATSHR
SCHEMBL7021317 0.92 MEN1 (0.36) MEN1KMT2ATSHR
SCHEMBL7021312 0.92 MEN1 (0.36) MEN1KMT2ATSHR
SCHEMBL7018048 0.91 MEN1 (0.35) MEN1KMT2A
SCHEMBL7018043 0.91 MEN1 (0.35) MEN1KMT2A
SCHEMBL7022429 0.91 STS (0.36) MEN1KMT2ATSHR
SCHEMBL7022438 0.91 STS (0.36) MEN1KMT2ATSHR
SCHEMBL7020836 0.90 TSHR (0.33) MEN1KMT2ATSHRAOC3

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 4 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
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