SCHEMBL28467960

SCHEMBL28467960

CC(=O)CSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ICMT O60725 1/20 0.41
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GNPAT O15228 1/20 0.37
PAM P19021 1/20 0.37
ACE P12821 2/20 0.37
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36

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
SCHEMBL28467961 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL31405642 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745722 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6308419 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3158140 0.88 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3158146 0.88 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745723 0.86 ALDH1A1 (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL5841482 0.85 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8988205 0.84 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4952874 0.84 MAPT (0.53) 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
CN-107389822-B Method for measuring 1-bromopropane metabolite N-acetyl-S- (N-propyl) -L-cysteine in urine 缪荣明 2020-06-19 CN disclosed