SCHEMBL7145776

SCHEMBL7145776

CCOc1cccc([C@@H](O)CN)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
ALOX15 P16050 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GLA P06280 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TSHR P16473 3/20 0.38
CHRM2 P08172 2/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
NR2E1 Q9Y466 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7149112 0.84 ALDH1A1 (0.52) ALDH1A1ADRA2AADRA1AALOX15L3MBTL1
SCHEMBL7145406 0.83 ADRA2A (0.39) ALDH1A1ADRA2AADRA1AGLATSHR
SCHEMBL7208889 0.83 ALDH1A1 (0.43) ALDH1A1ADRA2AADRA1AALOX15L3MBTL1
SCHEMBL7150317 0.82 ALDH1A1 (0.46) ALDH1A1ADRA2AADRA1AALOX15L3MBTL1
SCHEMBL13453934 0.78 ALDH1A1 (0.44) ALDH1A1ADRA1AALOX15L3MBTL1GLA
SCHEMBL6128060 0.77 HTR1A (0.47) ADRA1AL3MBTL1KDM4EMAPTMAPK1
SCHEMBL6128059 0.77 HTR1A (0.47) ALDH1A1ADRA1AL3MBTL1LMNAKDM4E
SCHEMBL29112412 0.77 ADRA2A (0.56) ALDH1A1ADRA2AADRA1AKCNH2MEN1
SCHEMBL7153411 0.77 ADRA2A (0.56) ALDH1A1ADRA2AADRA1AKCNH2MEN1
Methyl Alcohol SCHEMBL28171303 0.77 ALDH1A1 (0.50) ALDH1A1ADRA1AALOX15L3MBTL1GLA

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 13 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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US 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