SCHEMBL7259700

SCHEMBL7259700

CC(S)NC(CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
MAPT P10636 2/20 0.54
PTGS2 P35354 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FOLH1 Q04609 3/20 0.41
RNPEP Q9H4A4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ENPEP Q07075 2/20 0.38
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 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
SCHEMBL1058214 0.84 KDM4E (0.56) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL1058215 0.84 KDM4E (0.56) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL25761663 0.84 KDM4E (0.56) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL28854052 0.84 KDM4E (0.56) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL23552453 0.82 KDM4E (0.54) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL1939496 0.82 TGFBR1 (0.47) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL22731504 0.82 TGFBR1 (0.47) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL313275 0.82 KDM4E (0.54) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL6552340 0.82 KDM4E (0.54) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL3714795 0.82 KDM4E (0.54) ACEMAPTPTGS2KDM4ETHRB

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-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
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