SCHEMBL4598719

SCHEMBL4598719

OC[C@H](Cl)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
AOC3 Q16853 1/20 0.41
IDO1 P14902 1/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
LMNA P02545 1/20 0.39
PNMT P11086 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL5820379 1.00 ACP3 (0.46) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL5032818 1.00 ACP3 (0.46) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL14691236 0.83 ACP3 (0.43) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL6684385 0.81 AOC3 (0.44) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL27787820 0.81 PNMT (0.47) ACP3MEN1KMT2AAOC3IDO1
SCHEMBL31173890 0.81 ACP3 (0.41) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL10775144 0.80 ACP3 (0.52) ACP3MEN1KMT2ATSHRAOC3
SCHEMBL30818008 0.79 HDAC4 (0.44) AOC3IDO1SLC6A2SLC6A4
SCHEMBL17979946 0.79 HDAC4 (0.44) AOC3IDO1SLC6A2SLC6A4
SCHEMBL16951935 0.78 ACP3 (0.46) ACP3MEN1KMT2ATSHRAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102344947-A Biological enzyme resolution method for preparing (R)-2-chloro-1-(3-chlorphenyl) ethanol with high optical purity CHONGQING HUIJIAN BIO TECHNOLOGY CO LTD 2012-02-08 CN disclosed
EP-1907556-A1 OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS IEP GmbH (DE) 2008-04-09 EP disclosed
WO-2007012428-A1 OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2007-02-01 WO disclosed
EP-1505155-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORPORATION (JP) 2005-02-09 EP disclosed
EP-0763005-A4 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 1997-10-22 EP disclosed
EP-0763005-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1997-03-19 EP disclosed
EP-0717746-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-06-26 EP disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO disclosed
WO-1995007284-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-03-16 WO disclosed