SCHEMBL7259702

SCHEMBL7259702

O=C(O)[C@H](CS)NCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 1/20 0.45
FOLH1 Q04609 4/20 0.42
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ENPEP Q07075 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL17378062 0.90 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900182 0.90 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900178 0.90 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL16993797 0.88 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4993895 0.87 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
Ethylene SCHEMBL28132201 0.86 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20259387 0.85 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1939497 0.84 TGFBR1 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL145047 0.84 GGT1 (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3137754 0.84 MAPT (0.48) KDM4EMAPTTHRBALOX15NFKB1

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
EP-1366064-A1 TUMOUR TARGETING PRODRUGS ACTIVATED BY METALLO MATRIXPROTEINASES The Court of Napier University (GB) 2003-12-03 EP claimed
WO-2002072620-A1 TUMOUR TARGETING PRODRUGS ACTIVATED BY METALLO MATRIXPROTEINASES THE COURT OF NAPIER UNIVERSITY (GB) 2002-09-19 WO claimed
WO-2015097041-A1 DYNAMIC MOLECULES AND DYNAMIC COMBINATORIAL LIBRARY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2015-07-02 WO disclosed
EP-2886550-A1 Dynamic molecules and dynamic combinatorial library Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2015-06-24 EP disclosed
EP-1366064-A1 TUMOUR TARGETING PRODRUGS ACTIVATED BY METALLO MATRIXPROTEINASES The Court of Napier University (GB) 2003-12-03 EP disclosed
WO-2002072620-A1 TUMOUR TARGETING PRODRUGS ACTIVATED BY METALLO MATRIXPROTEINASES THE COURT OF NAPIER UNIVERSITY (GB) 2002-09-19 WO disclosed