SCHEMBL9752734

SCHEMBL9752734

CC(C)CCCc1c(O)cc(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A3 Q9HAS3 1/20 0.50
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AKT1 P31749 6/20 0.40
GPR84 Q9NQS5 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
TYR P14679 2/20 0.39
OPRM1 P35372 4/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
PDPK1 O15530 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
SCHEMBL9008297 0.92 SLC28A3 (0.47) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL8658359 0.87 SLC28A3 (0.44) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL9752751 0.83 GPR84 (0.40) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL9437050 0.81 NPC1 (0.56) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL110236 0.79 SLC28A3 (0.71) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL11574798 0.79 AKT1 (0.40) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28032554 0.79 NPC1 (0.58) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL70160 0.77 PTGS2 (0.57) GPR84GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL24756199 0.76 LMNA (0.43) SLC28A3NPC1HPGDMAPK1HTT
SCHEMBL9743295 0.76 HTT (0.72) SLC28A3NPC1HPGDMAPK1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed