SCHEMBL8675951

SCHEMBL8675951

CC(O)CCC=Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
MIF P14174 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8675078 0.90 CYSLTR2 (0.38) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8677867 0.82 NPC1 (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL23777720 0.80 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL3952483 0.77 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8675520 0.77 NPC1 (0.34) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30462691 0.76 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL19418539 0.76 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8674587 0.76 CYSLTR2 (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL20402091 0.75 PAM (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2159269 0.74 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B

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
US-5726264-A ETHYLENE-BRIDGED-METALLOCENE-TRANSITION METAL COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1998-03-10 US disclosed