SCHEMBL7016898

SCHEMBL7016898

CCC=CCOc1ccc(C23CCC(CCCCC)(CC2)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 3/20 0.34
HSD11B2 P80365 2/20 0.34
NR5A1 Q13285 1/20 0.31
TSHR P16473 1/20 0.31
LTA4H P09960 3/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
LMNA P02545 1/20 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
SCHEMBL7016892 1.00 STS (0.37) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7022424 0.99 STS (0.36) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7022419 0.99 STS (0.36) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7025046 0.96 STS (0.35) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7025053 0.96 STS (0.35) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7029605 0.95 STS (0.35) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7029596 0.95 STS (0.35) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7028279 0.91 STS (0.36) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7027510 0.91 STS (0.36) STSMEN1KMT2AHSD11B1HSD11B2
SCHEMBL7028274 0.91 STS (0.36) STSMEN1KMT2AHSD11B1HSD11B2

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