SCHEMBL7150580

SCHEMBL7150580

CC(Cc1ccc(OC(C)O)cc1)NC[C@H](O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.63
ADRB1 P08588 7/20 0.63
ADRB2 P07550 12/20 0.60
SLC2A1 P11166 2/20 0.58
CYP2D6 P10635 2/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7049980 0.88 ADRB2 (0.72) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7153454 0.88 ADRB2 (0.72) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7153455 0.88 ADRB2 (0.72) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7937104 0.85 ADRB2 (0.75) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7149113 0.85 ADRB2 (0.75) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7149115 0.85 ADRB2 (0.75) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7153655 0.85 SLC2A1 (0.81) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7151262 0.84 ADRB1 (0.80) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL9468422 0.84 ADRB1 (0.80) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL7151266 0.84 ADRB1 (0.80) ADRB3ADRB1ADRB2SLC2A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed