SCHEMBL8765134

SCHEMBL8765134

O=C(CS)NC(CCS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.44
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GNPAT O15228 1/20 0.41
NOD1 Q9Y239 2/20 0.40
ACE P12821 1/20 0.38
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35

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
SCHEMBL929798 1.00 FOLH1 (0.44) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL929799 1.00 FOLH1 (0.44) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL928640 0.85 GNPAT (0.47) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4187281 0.83 NOD1 (0.45) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4649933 0.83 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4961378 0.83 FOLH1 (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL8861039 0.83 FOLH1 (0.65) FOLH1RIMKLANAALAD2KDM4EGNPAT
SCHEMBL4649931 0.83 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL1260229 0.83 FOLH1 (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL8861043 0.83 FOLH1 (0.65) FOLH1RIMKLANAALAD2KDM4EGNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP claimed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP claimed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO claimed
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP disclosed
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP disclosed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP disclosed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP disclosed
WO-1993019024-A3 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-10-28 WO disclosed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO disclosed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO disclosed