SCHEMBL4289576

SCHEMBL4289576

C=CC(=O)NN[C@@H](CS)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ACE P12821 1/20 0.39
FOLH1 Q04609 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
TGM2 P21980 2/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL4289580 1.00 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31139984 0.82 TGFBR1 (0.40) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL29013593 0.81 FNTA (0.38) SMN1; SMN2TSHRALDH1A1MAPK1TDP1
SCHEMBL29013590 0.81 FNTA (0.38) SMN1; SMN2TSHRALDH1A1MAPK1TDP1
SCHEMBL4305909 0.80 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3054458 0.80 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28875835 0.78 MEN1 (0.39) KDM4EMAPTTSHRALDH1A1MAPK1
SCHEMBL28875836 0.78 MEN1 (0.39) KDM4EMAPTTSHRALDH1A1MAPK1
SCHEMBL5574761 0.78 FOLH1 (0.48) NFKB1BLMFOLH1TSHR
SCHEMBL31139963 0.78 ALDH1A1 (0.47) MAPTFOLH1TSHRALDH1A1

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
US-20090140136-A1 Method Of Analyzing Protein NEC CORPORATION (JP) 2009-06-04 US disclosed