SCHEMBL7028147

SCHEMBL7028147

CCCCCC12CCC(c3ccc(-c4cc[c]cc4)cc3)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
HSD11B1 P28845 3/20 0.35
HSD11B2 P80365 2/20 0.35
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
STS P08842 1/20 0.33
CYP19A1 P11511 5/20 0.32
IDH1 O75874 1/20 0.30
DGAT1 O75907 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
SCHEMBL7023287 0.99 MMP2 (0.37) MMP2MMP9HSD11B1HSD11B2CNR1
SCHEMBL7026787 0.91 HSD11B1 (0.38) HSD11B1HSD11B2CNR1CNR2STS
SCHEMBL7023911 0.89 DGAT1 (0.32) DGAT1
SCHEMBL7021356 0.89 HSD11B1 (0.37) MMP2MMP9HSD11B1HSD11B2CNR1
SCHEMBL7021338 0.89 HSD11B1 (0.37) MMP2MMP9HSD11B1HSD11B2CNR1
SCHEMBL7016925 0.81 HSD11B1 (0.35) MMP2MMP9HSD11B1HSD11B2CNR1
SCHEMBL7023103 0.80 RAB9A (0.35) MMP2MMP9HSD11B1HSD11B2CNR1
SCHEMBL7026052 0.79 PNMT (0.31)
SCHEMBL7019483 0.78 ESR1 (0.41) HSD11B1HSD11B2CNR1CNR2
SCHEMBL7025606 0.78 PGR (0.42) HSD11B1HSD11B2CYP19A1

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