SCHEMBL7026247

SCHEMBL7026247

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 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
SCHEMBL7026254 1.00 TSHR (0.33) TSHRMEN1KMT2AMMP1MMP13
SCHEMBL7024024 0.96 TSHR (0.31) TSHRMEN1KMT2A
SCHEMBL7024019 0.96 TSHR (0.31) TSHRMEN1KMT2A
SCHEMBL7025576 0.91 STS (0.37) TSHRMEN1KMT2AMMP13
SCHEMBL7025571 0.91 STS (0.37) TSHRMEN1KMT2AMMP13
SCHEMBL7028112 0.90 STS (0.36) TSHRMEN1KMT2AMMP13
SCHEMBL7028105 0.90 STS (0.36) TSHRMEN1KMT2AMMP13
SCHEMBL7020832 0.89 TSHR (0.33) TSHRMEN1KMT2A
SCHEMBL7020836 0.89 TSHR (0.33) TSHRMEN1KMT2A
SCHEMBL7025811 0.88 MEN1 (0.32) TSHRMEN1KMT2A

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