SCHEMBL5571077

SCHEMBL5571077

NCC(CO)CC(CO)CCOc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
JAK2 O60674 1/20 0.50
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.36
APP P05067 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 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
SCHEMBL5571079 0.76 CYP19A1 (0.41) GAADRD2DRD4DRD3APP
SCHEMBL31567853 0.71 GAA (0.72) GAALMNAMAPTJAK2DRD2
SCHEMBL277663 0.71 GAA (0.72) GAALMNAMAPTJAK2DRD2
SCHEMBL28711385 0.71 GAA (0.55) GAALMNAMAPTJAK2DRD2
SCHEMBL2637278 0.71 GAA (0.95) GAALMNAMAPTJAK2DRD2
SCHEMBL2839885 0.71 GAA (0.64) GAALMNAMAPTJAK2DRD2
Hydrochloric Acid SCHEMBL14999781 0.70 KDM4E (0.72) GAALMNAMAPTJAK2DRD2
SCHEMBL2021873 0.70 GAA (0.69) GAALMNAMAPTJAK2DRD2
SCHEMBL1030614 0.69 GAA (0.75) GAALMNAMAPTJAK2DRD2
SCHEMBL5621969 0.69 GAA (0.82) GAALMNAMAPTJAK2DRD2

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-20070117964-A1 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7220818-B2 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-22 US disclosed
US-20050043503-A1 With poly{(5-alkoxy-m-phenylenevinylene)-co-[(2,5-dioctyloxy-p-phenylene)vinylene]} or other derivatives; high strength, increased solubility, electroconductivity with maintained photoluminescence and electroluminescence THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-02-24 US disclosed