SCHEMBL8599982

SCHEMBL8599982

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.44
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PTGS2 P35354 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL11193446 0.77 MTNR1A (0.48) RNPEPMAPTKDM4EALDH1A1PTGS2
SCHEMBL2878498 0.77 MTNR1A (0.42) MAPTKDM4EALDH1A1PTGS2ALOX15
SCHEMBL30561478 0.77
SCHEMBL20496944 0.75
SCHEMBL4102980 0.75
SCHEMBL27831287 0.74 SLC7A5 (0.38) MAPTKDM4EALDH1A1PTGS2TDP1
SCHEMBL30076061 0.73
SCHEMBL468822 0.73 MTNR1A (0.44) MAPTKDM4EALDH1A1PTGS2ALOX15
SCHEMBL7082573 0.73 OR51E2 (0.42) MAPTKDM4EALDH1A1PTGS2ALOX15
SCHEMBL17234303 0.73 RNPEP (0.38) RNPEPMAPTKDM4EALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710228-B1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARM INC (CA) 1998-01-21 EP disclosed
US-5659041-A MEDICAL DIAGNOSIS, THERAPY RESOLUTION PHARMACEUTICALS, INC. (CA) 1997-08-19 US disclosed
EP-0710228-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-05-08 EP disclosed
WO-1995003280-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1995-02-02 WO disclosed
EP-0166356-B1 2-SUBSTITUTED-AMINOMETHYL-1,4-BENZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-09-01 EP disclosed
US-4724237-A GASTROINTESTINAL, CENTRAL NERVOUS, AND APPETITE DISORDERS MERCK & CO., INC. (US) 1988-02-09 US disclosed
EP-0166356-A2 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed