SCHEMBL4334723

SCHEMBL4334723

NC[C@H](O)c1cccc(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.55
ADRA2B P18089 4/20 0.55
ADRA2C P18825 4/20 0.55
ADRA1A P35348 3/20 0.55
ADRB2 P07550 3/20 0.55
ADRA1B P35368 2/20 0.55
TDP1 Q9NUW8 5/20 0.46
RECQL P46063 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
FYN P06241 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL11043623 1.00 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL632462 0.83 TSHR (0.48) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL11306339 0.83 LMNA (0.46) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL9120746 0.82 TSHR (0.50) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL7145871 0.82 TSHR (0.50) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL8724960 0.81 LMNA (0.44) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL2989016 0.81 TSHR (0.55) ADRA2AADRA2BADRA2CADRA1AADRB2
Hydrochloric Acid SCHEMBL7838709 0.80 APEX1 (0.48) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL7149381 0.79 KIF11 (0.46) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL9161098 0.78 LMNA (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
US-20110123477-A1 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-05-26 US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 WO disclosed
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