SCHEMBL5961115

SCHEMBL5961115

CC(C)(C)OC(=O)CNCCCCC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.32
PTPRC P08575 2/20 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
SCHEMBL5793450 0.96 MAOA (0.44) MAOAMAOBTDP1EPHX2TSHR
SCHEMBL1434050 0.84 MAOA (0.49) MAOAMAOBTDP1TSHRGAA
SCHEMBL5961120 0.84 TDP1 (0.56) MAOAMAOBTDP1EPHX2MEN1
SCHEMBL7360782 0.83 ALDH1A1 (0.46) MAOAMAOBTDP1TSHRMEN1
SCHEMBL6535041 0.82 MAOA (0.44) MAOAMAOBTDP1EPHX2MEN1
SCHEMBL23606566 0.82 MAOA (0.51) MAOAMAOBTDP1TSHRCA12
SCHEMBL19032560 0.82 MAOA (0.51) MAOAMAOBTDP1TSHRCA12
SCHEMBL7397545 0.82 MAOA (0.52) MAOAMAOBTDP1TSHRMEN1
SCHEMBL15706326 0.82 MAOA (0.51) MAOAMAOBTDP1TSHRCA12
SCHEMBL5961080 0.82 MAOA (0.47) MAOAMAOBTDP1EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed