SCHEMBL7145406

SCHEMBL7145406

CCOc1c(O)cccc1[C@@H](O)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.39
ADRA1A P35348 4/20 0.39
TSHR P16473 2/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
ADRB2 P07550 3/20 0.39
ADRA1B P35368 2/20 0.39
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
NFKB1 P19838 1/20 0.38
GAA P10253 2/20 0.38
BLM P54132 3/20 0.37
PMP22 Q01453 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL7149154 0.84 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRB2
SCHEMBL7145776 0.83 ALDH1A1 (0.43) ADRA2AADRA1ATSHRMAPTHPGD
SCHEMBL2319403 0.79 CA1 (0.48) ADRA1ATSHRADRA1BGAAMAPT
SCHEMBL6238347 0.77 TSHR (0.40) ADRA2ATSHRADRA2BADRA2CADRB1
SCHEMBL16953802 0.77 TSHR (0.44) ADRA2ATSHRADRA2BADRA2CADRB1
SCHEMBL7148817 0.77 ALDH1A1 (0.41) ADRA2AADRA1AADRA2BADRA2CADRB2
SCHEMBL7208889 0.76 ALDH1A1 (0.43) ADRA2AADRA1AADRA2BADRA2CADRB2
SCHEMBL16957252 0.75 TSHR (0.38) ADRA2ATSHRADRA2BADRA2CADRB1
SCHEMBL16952842 0.75 CA1 (0.40) ADRA2ATSHRADRA2BADRA2CADRB1
SCHEMBL27600000 0.74 ALDH1A1 (0.48) TSHRGAAMAPTHPGDKDM4E

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-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 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
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