SCHEMBL8086112

SCHEMBL8086112

CC(C)=CC(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PTPRC P08575 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL7381281 0.85 MAOA (0.37) CA12CA2CA14PTPRCL3MBTL1
SCHEMBL7381279 0.85 MAOA (0.37) CA12CA2CA14PTPRCL3MBTL1
SCHEMBL6610608 0.83 MEN1 (0.41) CA12CA2CA14PTPRCL3MBTL1
SCHEMBL15482649 0.82 TET2 (0.48) CA12CA2CA14ALDH1A1HPGD
SCHEMBL9138923 0.78 TSHR (0.46) CA12CA2CA14ALDH1A1TSHR
SCHEMBL18461844 0.78 TDP1 (0.50) CA12CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL14365853 0.78 PTPRC (0.38) CA12CA2CA14PTPRCL3MBTL1
SCHEMBL7660758 0.77 PTPRC (0.40) CA12CA2CA14PTPRCL3MBTL1
SCHEMBL24599175 0.76 SMN1; SMN2 (0.40) ALDH1A1HPGDSMN1; SMN2ALOX15TSHR
SCHEMBL23140063 0.74 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010680-A Thiolation of proteins for radionuclide-based radioimmunodetection and radioimmunotherapy IMMUNOMEDICS, INC. (US) 2000-01-04 US disclosed
EP-0760685-A4 THIOLATION OF PROTEINS FOR RADIONUCLIDE-BASED RADIOIMMUNODETECTION AND RADIOIMMUNOTHERAPY IMMUNOMEDICS INC (US) 1999-07-28 EP disclosed
US-5772981-A Thiolation of proteins for radionuclide-based radioimmunodetection and radioimmunotherapy IMMUNOMEDICS, INC. (US) 1998-06-30 US disclosed
EP-0760685-A1 THIOLATION OF PROTEINS FOR RADIONUCLIDE-BASED RADIOIMMUNODETECTION AND RADIOIMMUNOTHERAPY Immunomedics, Inc. (US) 1997-03-12 EP disclosed
WO-1995033495-A1 THIOLATION OF PROTEINS FOR RADIONUCLIDE-BASED RADIOIMMUNODETECTION AND RADIOIMMUNOTHERAPY IMMUNOMEDICS, INC. (US) 1995-12-14 WO disclosed