SCHEMBL7024019

SCHEMBL7024019

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7024024 1.00 TSHR (0.31) TSHRMEN1KMT2ACYP3A4CYP2D6
SCHEMBL7026254 0.96 TSHR (0.33) TSHRMEN1KMT2A
SCHEMBL7026247 0.96 TSHR (0.33) TSHRMEN1KMT2A
SCHEMBL7031227 0.91 STS (0.35) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7031224 0.91 STS (0.35) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7023920 0.90 STS (0.35) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7023927 0.90 STS (0.35) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7022126 0.90 MEN1 (0.31) TSHRMEN1KMT2ACYP3A4CYP2D6
SCHEMBL7022131 0.90 MEN1 (0.31) TSHRMEN1KMT2ACYP3A4CYP2D6
SCHEMBL7029593 0.89 MEN1 (0.30) TSHRMEN1KMT2ACYP3A4CYP2D6

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