SCHEMBL31529680

SCHEMBL31529680

CC(OC(=O)CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
RNPEP Q9H4A4 1/20 0.34
ENPEP Q07075 2/20 0.34
TP53 P04637 1/20 0.33
ACE P12821 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 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
SCHEMBL10827167 0.82 ACE (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7110445 0.80 LMNA (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL2608669 0.80 LMNA (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL2610011 0.78 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL823240 0.78 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL682062 0.78 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL2044655 0.78 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL5074468 0.77 TSHR (0.50) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL589942 0.77
SCHEMBL7807223 0.76 MMP1 (0.38) TSHRMMP1MMP2MMP3MMP9

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-119684192-A Method for forming ring of complex monomer 中国科学院长春应用化学研究所 2025-03-25 CN disclosed