SCHEMBL7020530

SCHEMBL7020530

CCCCC/C=C/COc1ccc(-c2ccc(C34CCC(CCCCCCC)(CC3)CC4)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
RARB P10826 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CNR1 P21554 1/20 0.32
HSD11B1 P28845 3/20 0.32
HSD11B2 P80365 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
LMNA P02545 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PPARA Q07869 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
SCHEMBL7020534 1.00 STS (0.34) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7030878 0.99 STS (0.35) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7030873 0.99 STS (0.35) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7025377 0.98 STS (0.34) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7025375 0.98 STS (0.34) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7021792 0.97 STS (0.35) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7021784 0.97 STS (0.35) STSRARBMEN1KMT2ACYP3A4
SCHEMBL7024294 0.96 STS (0.36) STSMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL7024288 0.96 STS (0.36) STSMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL7025066 0.95 STS (0.34) STSRARBMEN1KMT2ACYP3A4

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