SCHEMBL5801287

SCHEMBL5801287

CNC(=O)SCC(NC(C)=O)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
TLR2 O60603 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL5801290 1.00 MAPT (0.35) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9966095 0.84 KDM4E (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL5656969 0.84 KDM4E (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6470507 0.84 KDM4E (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL82152 0.82 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL82150 0.82 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2408947 0.80 ITGB1 (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8739588 0.80 GAA (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2872923 0.80 ITGB1 (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9688310 0.80 GAA (0.42) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006056233-A1 PROCESS FOR THE PREPARATION OF S-CARBAMOYL CYSTEINE DERIVATIVES PROTERA S.R.L. (IT) 2006-06-01 WO disclosed