SCHEMBL7145845

SCHEMBL7145845

NC[C@H](O)c1c(Cl)cc(Cl)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
HPGD P15428 6/20 0.41
TSHR P16473 6/20 0.41
HSD17B10 Q99714 5/20 0.41
MAPK1 P28482 3/20 0.41
CASP1 P29466 1/20 0.39
HIF1A Q16665 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 4/20 0.36
RECQL P46063 4/20 0.36
BLM P54132 4/20 0.36
APEX1 P27695 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1A P35348 3/20 0.36
TAAR1 Q96RJ0 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ADRB2 P07550 2/20 0.36

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
SCHEMBL7145777 0.88 HPGD (0.42) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7153028 0.80 HIF1A (0.48) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7153604 0.80 TAAR1 (0.39) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7148243 0.80 CYP3A4 (0.48) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7147236 0.79 RECQL (0.40) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7150188 0.77 HPGD (0.45) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7147415 0.74 ALDH1A1 (0.44) CYP3A4HPGDTSHRHSD17B10MAPK1
SCHEMBL7154328 0.73 TAAR1 (0.41) HPGDTSHRHIF1AMAPTRECQL
SCHEMBL4872351 0.73 TAAR1 (0.41) HPGDTSHRHIF1AMAPTRECQL
SCHEMBL7145488 0.71 ADRA2A (0.43) CYP3A4HPGDTSHRHSD17B10MAPK1

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