SCHEMBL7147927

SCHEMBL7147927

COC(=O)c1cccc(CC(C)=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 3/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL7145552 0.84 ALDH1A1 (0.44) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL4326103 0.83 ALDH1A1 (0.49) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL10401566 0.83 ALDH1A1 (0.43) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL30452267 0.82 ALDH1A1 (0.51) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL7717040 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL9480301 0.82 ALDH1A1 (0.51) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL12636442 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL9678436 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL3511611 0.80 TSHR (0.57) ALDH1A1LMNAMAPK10TSHRPOLB
SCHEMBL24440339 0.78 KDM4E (0.48) ALDH1A1LMNAMAPK8MAPK9MAPK10

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 14 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
EP-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed