SCHEMBL7017611

SCHEMBL7017611

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL7017612 1.00 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7021550 0.92 RAB9A (0.36) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7021553 0.92 RAB9A (0.36) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7020246 0.92 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7020249 0.92 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7026490 0.91 RAB9A (0.35) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7026484 0.91 RAB9A (0.35) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7025912 0.91 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7025921 0.91 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7028561 0.90 RAB9A (0.36) NPC1RAB9ASMN1; 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