SCHEMBL7026484

SCHEMBL7026484

CC/C=C/COc1cnc(-c2ccc(C34CCC(CCCCCCC)(CC3)CC4)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 1/20 0.32
STS P08842 1/20 0.31
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 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
SCHEMBL7026490 1.00 RAB9A (0.35) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7021550 0.99 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7021553 0.99 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7023435 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7025076 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7020271 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7025083 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7020269 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7023432 0.93 RAB9A (0.34) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7018053 0.92 RAB9A (0.35) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10

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