SCHEMBL5337715

SCHEMBL5337715

CC(CO)(Cc1ccccc1)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.62
ADRB1 P08588 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
TSHR P16473 3/20 0.50
HIF1A Q16665 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ADRB3 P13945 3/20 0.50
MTOR P42345 3/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
DRD2 P14416 2/20 0.50
ADRA1D P25100 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRA1A P35348 2/20 0.50

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
SCHEMBL4880117 0.78 ADRB2 (0.61) ADRB2ADRB1TDP1MAPTMEN1
Colterol SCHEMBL249585 0.76 ADRB2 (0.72) ADRB2ADRB1TDP1MAPTMEN1
Colterol SCHEMBL3207818 0.76 ADRB2 (0.72) ADRB2ADRB1TDP1MAPTMEN1
Colterol SCHEMBL3220142 0.76 ADRB2 (0.72) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL7149089 0.74 ADRB2 (0.74) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL11807907 0.74 ADRB2 (0.74) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL7149088 0.74 ADRB2 (0.74) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL30892159 0.73 ADRB3 (0.64) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL22551319 0.73 ADRB3 (0.64) ADRB2ADRB1TDP1MAPTMEN1
SCHEMBL11878876 0.72 ADRB2 (0.72) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232659-B1 Multiplex analysis for high throughput discrimination of GPCR agonists and antagonists STC.UNM (US) 2007-06-19 US disclosed
EP-0835233-B1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS NEN LIFE SCIENCE PROD INC (US) 2001-12-05 EP disclosed
US-5843396-A Method for stabilizing radiolabeled organic compounds by adding a separate stabilizing compound NEN LIFE SCIENCE PRODUCTS, INC. (US) 1998-12-01 US disclosed
EP-0835233-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP disclosed
US-5738836-A Composition for stabilizing radiolabeled organic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-14 US disclosed
WO-1997001520-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 US disclosed