SCHEMBL7018043

SCHEMBL7018043

CCCCC/C=C/COc1ccc(C23CCC(CCC)(CC2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYSLTR2 Q9NS75 5/20 0.34
CYSLTR1 Q9Y271 5/20 0.34
STS P08842 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 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
SCHEMBL7018048 1.00 MEN1 (0.35) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7026495 0.96 CYP3A4 (0.33) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7026500 0.96 CYP3A4 (0.33) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7021312 0.96 MEN1 (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7021317 0.96 MEN1 (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7027522 0.95 STS (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7027510 0.95 STS (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7024294 0.94 STS (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7024288 0.94 STS (0.36) MEN1KMT2ACYSLTR2CYSLTR1STS
SCHEMBL7020431 0.93 CYP3A4 (0.34) MEN1KMT2A

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