SCHEMBL7020431

SCHEMBL7020431

CCCC/C=C/COc1ccc(-c2ccc(C34CCC(CCC)(CC3)CC4)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
RARB P10826 3/20 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
SCHEMBL7020438 1.00 CYP3A4 (0.34) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7026500 0.96 CYP3A4 (0.33) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7026495 0.96 CYP3A4 (0.33) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7021317 0.96 MEN1 (0.36) MEN1KMT2A
SCHEMBL7021312 0.96 MEN1 (0.36) MEN1KMT2A
SCHEMBL7021792 0.94 STS (0.35) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7021784 0.94 STS (0.35) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7025377 0.93 STS (0.34) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7025375 0.93 STS (0.34) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7029584 0.93 MEN1 (0.30) CYP3A4CYP2D6MEN1KMT2A

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