SCHEMBL7146439

SCHEMBL7146439

COc1ccccc1CC(C)NC[C@H](O)c1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.49
ADRB2 P07550 7/20 0.47
BCHE P06276 3/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
ADRB1 P08588 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ABCB1 P08183 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7146442 1.00 ADRB3 (0.49) ADRB3ADRB2BCHEKDM4EALDH1A1
SCHEMBL7147313 0.89 ADRB2 (0.52) ADRB3ADRB2ADRB1
SCHEMBL7147312 0.89 ADRB2 (0.52) ADRB3ADRB2ADRB1
SCHEMBL7145356 0.89 ADRB3 (0.49) ADRB3ADRB2KDM4EALDH1A1SGMS2
SCHEMBL7145351 0.89 ADRB3 (0.49) ADRB3ADRB2KDM4EALDH1A1SGMS2
SCHEMBL11412158 0.88 ADRB2 (0.48) ADRB3ADRB2BCHEKDM4EALDH1A1
SCHEMBL7153388 0.88 ADRB2 (0.56) ADRB3ADRB2KDM4EADRB1TDP1
SCHEMBL7153390 0.88 ADRB2 (0.56) ADRB3ADRB2KDM4EADRB1TDP1
SCHEMBL7151394 0.88 ADRB3 (0.53) ADRB3ADRB2KDM4ESGMS2ADRB1
SCHEMBL7151399 0.88 ADRB3 (0.53) ADRB3ADRB2KDM4ESGMS2ADRB1

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 11 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
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