SCHEMBL7020249

SCHEMBL7020249

CCCC=CCOc1cnc(-c2ccc(C34CCC(CCC)(CC3)CC4)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7020246 1.00 NPC1 (0.32) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7028561 0.94 RAB9A (0.36) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7028564 0.94 RAB9A (0.36) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7023169 0.93 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7023176 0.93 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7018045 0.93 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7018053 0.93 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7017611 0.92 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7017612 0.92 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7025083 0.92 RAB9A (0.34) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E

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