SCHEMBL5571079

SCHEMBL5571079

NCC(CO)CC(CO)CCOc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.41
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
LTA4H P09960 3/20 0.40
NR5A1 Q13285 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP3A5 P20815 2/20 0.38
CYP2D6 P10635 1/20 0.38
APP P05067 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL3399531 0.78 MEN1 (0.45) TDP1DRD2DRD4DRD3
SCHEMBL5571077 0.76 GAA (0.50) APPDRD2DRD4DRD3GAA
SCHEMBL11165257 0.71 CYP19A1 (0.49) CYP19A1ESR1ESR2LTA4HNR5A1
SCHEMBL3396854 0.70 MEN1 (0.44) TDP1DRD2DRD4DRD3
SCHEMBL1437186 0.69 CYP19A1 (0.70) CYP19A1ESR1ESR2LTA4HNR5A1
SCHEMBL15300977 0.69 KDM4E (0.42) LTA4HAPPDRD2DRD4DRD3
SCHEMBL28711383 0.69 LTA4H (0.56) CYP19A1ESR1ESR2LTA4HNR5A1
Hydrochloric Acid SCHEMBL3400135 0.69 MEN1 (0.43) TDP1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3398636 0.69 MEN1 (0.43) TDP1DRD2DRD4DRD3
SCHEMBL226548 0.69 LTA4H (0.64) CYP19A1ESR1ESR2LTA4HNR5A1

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