SCHEMBL6168905

SCHEMBL6168905

CC(=O)Cc1cc(C)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.45
KDM4C Q9H3R0 1/20 0.39
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
METAP2 P50579 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 2/20 0.33
MAOA P21397 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL27942177 0.85 DAO (0.47) DAOKDM4CMAPTNPSR1HCAR3
SCHEMBL1551106 0.83 DAO (0.50) DAOKDM4CMAPTHCAR3HCAR2
SCHEMBL28221583 0.83 DAO (0.39) DAOKDM4CMETAP2PDE10AMAOA
SCHEMBL7384491 0.82 DAO (0.44) DAOKDM4CHCAR3HCAR2METAP2
SCHEMBL2407624 0.82 DAO (0.44) DAOKDM4CMAPTHCAR3HCAR2
SCHEMBL8855371 0.80 DAO (0.42) DAOKDM4CMAPTNPSR1HCAR3
SCHEMBL6167651 0.80 DAO (0.42) DAOKDM4CMAPTHCAR3HCAR2
SCHEMBL7607766 0.79 CES2 (0.43) DAOMAPTNPSR1HCAR3HCAR2
SCHEMBL10848470 0.79 DAO (0.41) DAOKDM4CHCAR3HCAR2METAP2
SCHEMBL1551334 0.79 HSP90AB1 (0.43) DAOKDM4CMAPTNPSR1RAB9A

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
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP 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
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 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-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-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO 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-0089154-A2 Ethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed