SCHEMBL7094591

SCHEMBL7094591

CC(C)(S)CC(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.43
EGLN1 Q9GZT9 2/20 0.40
FAAH O00519 5/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CTH P32929 1/20 0.37
APEX1 P27695 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 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
SCHEMBL3080172 0.84 HPGD (0.43) ALDH1A1MAPTTDP1LMNAPTGS2
SCHEMBL20734738 0.81 ECE1 (0.48) MAPTFAAHADRA1AMEN1KMT2A
SCHEMBL12942755 0.80 HPGD (0.41) ALDH1A1MAPTTDP1LMNAPTGS2
SCHEMBL22900019 0.79 MCL1 (0.41) ALDH1A1FAAHMEN1KMT2ARECQL
SCHEMBL929623 0.79 HPGD (0.32) RECQLHPGD
SCHEMBL20734766 0.78 RECQL (0.32) RECQL
SCHEMBL12335913 0.78 FAAH (0.40) ALDH1A1MAPTTDP1LMNAPTGS2
SCHEMBL24756552 0.77 TDP1 (0.52) ALDH1A1MAPTTDP1LMNAPTGS2
SCHEMBL931025 0.76 HDAC3 (0.38) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL23017806 0.75 TDP1 (0.41) ALDH1A1MAPTTDP1LMNAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760685-B1 THIOLATION OF PROTEINS FOR RADIONUCLIDE-BASED RADIOIMMUNODETECTION AND RADIOIMMUNOTHERAPY IMMUNOMEDICS INC (US) 2003-08-27 EP claimed
US-6010680-A Thiolation of proteins for radionuclide-based radioimmunodetection and radioimmunotherapy IMMUNOMEDICS, INC. (US) 2000-01-04 US claimed
US-5772981-A Thiolation of proteins for radionuclide-based radioimmunodetection and radioimmunotherapy IMMUNOMEDICS, INC. (US) 1998-06-30 US claimed
EP-0760685-B1 THIOLATION OF PROTEINS FOR RADIONUCLIDE-BASED RADIOIMMUNODETECTION AND RADIOIMMUNOTHERAPY IMMUNOMEDICS INC (US) 2003-08-27 EP disclosed