SCHEMBL7025533

SCHEMBL7025533

CCCCCC12CCC(c3ccc(-c4ncc(O)cn4)cc3)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 6/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
HSD11B1 P28845 3/20 0.34
HSD11B2 P80365 2/20 0.34
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
DEGS1 O15121 1/20 0.33

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
SCHEMBL7016925 0.83 HSD11B1 (0.35) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7023103 0.82 RAB9A (0.35) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7019483 0.82 ESR1 (0.41) KDM4EHSD17B10ALDH1A1CNR1CNR2
SCHEMBL7029166 0.82 RAB9A (0.36) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL9128645 0.80 CNR2 (0.51) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7021550 0.79 RAB9A (0.36) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7901345 0.79 RAB9A (0.36) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7021553 0.79 RAB9A (0.36) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7901348 0.79 RAB9A (0.36) RARBRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7018053 0.79 RAB9A (0.35) RARBRAB9ASMN1; SMN2KDM4EMAPT

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