SCHEMBL7148796

SCHEMBL7148796

CCOc1ccc([C@@H](O)CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
TAAR1 Q96RJ0 3/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 2/20 0.53
HTR3A P46098 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
APEX1 P27695 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PARP10 Q53GL7 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ADRA2A P08913 4/20 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
SCHEMBL9380552 0.85 SLC2A1 (0.51) TAAR1TSHRNFKB1HTR3AHIF1A
SCHEMBL25101010 0.85 TAAR1 (0.50) TAAR1TSHRNFKB1HTR3AHIF1A
SCHEMBL6055121 0.84 NQO1 (0.58) NQO1TAAR1TSHRTDP1MEN1
SCHEMBL8966721 0.81 NR5A1 (0.57) TSHRALOX15RAB9ALTA4HLMNA
SCHEMBL8130343 0.81 NQO1 (0.54) NQO1TAAR1TSHRTDP1MEN1
SCHEMBL7150347 0.81 ADRA2A (0.42) NQO1TAAR1TSHRNFKB1HTR3A
SCHEMBL6055165 0.81 MEN1 (0.59) NQO1TAAR1TSHRTDP1MEN1
SCHEMBL11499413 0.80 TAAR1 (0.48) TAAR1TSHRNFKB1HTR3AHIF1A
SCHEMBL7152554 0.80 AOC3 (0.65) TAAR1TSHRNFKB1HTR3AHIF1A
SCHEMBL11081839 0.80 NQO1 (0.58) NQO1TSHRTDP1KDM4EL3MBTL1

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 19 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-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 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
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed