SCHEMBL7149100

SCHEMBL7149100

CCOc1ccc([C@@H](O)CN)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPT P10636 3/20 0.59
RECQL P46063 3/20 0.59
APEX1 P27695 3/20 0.59
ADRA2A P08913 3/20 0.59
TAAR1 Q96RJ0 3/20 0.59
ADRB3 P13945 3/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
ADRB2 P07550 2/20 0.59
ADRB1 P08588 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
CYP3A4 P08684 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL7151218 0.87 NFKB1 (0.71) BLMTDP1KDM4EMAPTRECQL
SCHEMBL249737 0.87 NFKB1 (0.71) BLMTDP1KDM4EMAPTRECQL
SCHEMBL7143077 0.87 NFKB1 (0.57) BLMTDP1KDM4EMAPTRECQL
Hydrochloric Acid SCHEMBL75743 0.86 BLM (0.72) BLMTDP1KDM4EMAPTRECQL
Normetanephrine Hydrochloride SCHEMBL7153624 0.83 NFKB1 (0.76) BLMTDP1KDM4EMAPTRECQL
Normetanephrine Hydrochloride SCHEMBL11573078 0.83 NFKB1 (0.76) BLMTDP1KDM4EMAPTRECQL
SCHEMBL4858393 0.80 TRPA1 (0.50) TDP1MAPTMAPK1KMT2ATSHR
SCHEMBL1758771 0.80 ALDH1A1 (0.47) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL5382785 0.77 PDE4A (0.42) MAPTHPGDMEN1PTGS2KMT2A
SCHEMBL7149116 0.77 ADRA2A (0.50) BLMTDP1KDM4EMAPTAPEX1

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