SCHEMBL6661379

SCHEMBL6661379

CC(=O)NC(CO)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TGFBR1 P36897 2/20 0.37
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
CRAT P43155 1/20 0.34
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL8067791 0.77 KDM4E (0.46) KDM4EMAPTNFKB1THRBALOX15
SCHEMBL1861994 0.77
SCHEMBL27164085 0.74
SCHEMBL28517444 0.74 KDM4E (0.39) KDM4EMAPTNFKB1THRBALOX15
SCHEMBL48911 0.74
SCHEMBL982687 0.74
SCHEMBL48766 0.74
SCHEMBL10596836 0.74 KDM4E (0.35) KDM4EMAPTNFKB1THRBALOX15
SCHEMBL11595258 0.72 KDM4E (0.40) KDM4EMAPTNFKB1THRBALOX15
SCHEMBL5606182 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775160-B1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATIDE INC (US) 2004-08-18 EP claimed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP claimed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed