SCHEMBL3786405

SCHEMBL3786405

C=CC(C=C)(CCCCC)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8060281 0.80 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29111158 0.79 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29111154 0.77 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1448599 0.76 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL704466 0.74 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
Hexane SCHEMBL8201767 0.73 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Hexane SCHEMBL8572947 0.70 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Fluorene SCHEMBL28315043 0.70 TSHR (0.53) NPC1RAB9ADRD2SIGMAR1ADRA1D
Fluorene SCHEMBL25291666 0.70 MAOA (0.50) PNMTNPC1RAB9AHTR2BDRD2
SCHEMBL5837265 0.69 PNMT (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198985-B2 Bimodal star polymer architectures as fluorescent and MRI imaging reagents VANDERBUILT UNIVERSITY (US) 2015-12-01 US disclosed
US-20130029369-A1 BIMODAL STAR POLYMER ARCHITECTURES AS FLUORESCENT AND MRI IMAGING REAGENTS NATIONAL SCIENCE FOUNDATION 2013-01-31 US disclosed
WO-2010135666-A1 BIMODAL STAR POLYMER ARCHITECTURES AS FLUORESCENT AND MRI IMAGING REAGENTS VANDERBILT UNIVERSITY (US) 2010-11-25 WO disclosed