SCHEMBL7026787

SCHEMBL7026787

CCCCCC12CCC(c3cc[c]cc3)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
HSD11B2 P80365 2/20 0.38
STS P08842 1/20 0.36
IDH1 O75874 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP19A1 P11511 12/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL7021356 0.98 HSD11B1 (0.37) HSD11B1HSD11B2STSIDH1OPRM1
SCHEMBL7021338 0.98 HSD11B1 (0.37) HSD11B1HSD11B2STSIDH1OPRM1
SCHEMBL7028147 0.91 MMP2 (0.35) HSD11B1HSD11B2STSIDH1CYP19A1
SCHEMBL7023287 0.90 MMP2 (0.37) HSD11B1HSD11B2STSOPRM1OPRD1
SCHEMBL10584455 0.81 MMP2 (0.46) HSD11B1HSD11B2OPRM1OPRD1OPRK1
SCHEMBL7019483 0.80 ESR1 (0.41) HSD11B1HSD11B2CNR1CNR2
SCHEMBL7025606 0.80 PGR (0.42) HSD11B1HSD11B2CYP19A1
Fluoride SCHEMBL9841443 0.79 HSD11B1 (0.37) HSD11B1HSD11B2STSCYP19A1CNR1
SCHEMBL10585311 0.79 CYP19A1 (0.51) HSD11B1HSD11B2STSCYP19A1CNR1
SCHEMBL7023911 0.79 DGAT1 (0.32)

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